AV18205
1823815-24-2 | 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18205
ChemicalName
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxylic acid
CasNumber
1823815-24-2
MolecularFormula
C12H17N3O4
MolecularWeight
267.2811
MdlNumber
MFCD28119020
Smiles
OC(=O)C1CN(Cc2n1ncc2)C(=O)OC(C)(C)C
Complexity
380
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AV18205
ChemicalName: 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxylic acid
CasNumber: 1823815-24-2
MolecularFormula: C12H17N3O4
MolecularWeight: 267.2811
MdlNumber: MFCD28119020
Smiles: OC(=O)C1CN(Cc2n1ncc2)C(=O)OC(C)(C)C
Complexity: 380
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AV18205
ChemicalName:
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxylic acid
CasNumber:
1823815-24-2
MolecularFormula:
C12H17N3O4
MolecularWeight:
267.2811
MdlNumber:
MFCD28119020
Smiles:
OC(=O)C1CN(Cc2n1ncc2)C(=O)OC(C)(C)C
Complexity:
380
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(c1cc(OC)c(c(c1)OC)OC)O
Complexity: 184
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(c1cc(OC)c(c(c1)OC)OC)O
Complexity:
184
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.5
CatalogNumber: AV18207
ChemicalName: 2-Chloro-4-(1H-pyrazol-5-yl)benzonitrile
CasNumber: 1297537-37-1
MolecularFormula: C10H6ClN3
MolecularWeight: 203.6277
MdlNumber: MFCD28365702
Smiles: N#Cc1ccc(cc1Cl)c1ccn[nH]1
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AV18207
ChemicalName:
2-Chloro-4-(1H-pyrazol-5-yl)benzonitrile
CasNumber:
1297537-37-1
MolecularFormula:
C10H6ClN3
MolecularWeight:
203.6277
MdlNumber:
MFCD28365702
Smiles:
N#Cc1ccc(cc1Cl)c1ccn[nH]1
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccc(cc1NS(=O)(=O)c1ccc(cc1)C)OCC
Complexity: 440
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc(cc1NS(=O)(=O)c1ccc(cc1)C)OCC
Complexity:
440
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.5