AB48326
6825-71-4 | Ethyl 3,5-diamino-1h-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB48326
ChemicalName
Ethyl 3,5-diamino-1h-pyrazole-4-carboxylate
CasNumber
6825-71-4
MolecularFormula
C6H10N4O2
MolecularWeight
170.1692
MdlNumber
MFCD04070845
Smiles
CCOC(=O)c1c(N)n[nH]c1N
Complexity
175
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
0.3
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CatalogNumber: AB48326
ChemicalName: Ethyl 3,5-diamino-1h-pyrazole-4-carboxylate
CasNumber: 6825-71-4
MolecularFormula: C6H10N4O2
MolecularWeight: 170.1692
MdlNumber: MFCD04070845
Smiles: CCOC(=O)c1c(N)n[nH]c1N
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: 0.3
CatalogNumber:
AB48326
ChemicalName:
Ethyl 3,5-diamino-1h-pyrazole-4-carboxylate
CasNumber:
6825-71-4
MolecularFormula:
C6H10N4O2
MolecularWeight:
170.1692
MdlNumber:
MFCD04070845
Smiles:
CCOC(=O)c1c(N)n[nH]c1N
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClS(=O)(=O)c1cccc2c1nsn2
Complexity: 290
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClS(=O)(=O)c1cccc2c1nsn2
Complexity:
290
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)c([n+](c1)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)c([n+](c1)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48329
ChemicalName: 3-(3-Hydroxypropyl)phenylboronic acid
CasNumber: 736989-98-3
MolecularFormula: C9H13BO3
MolecularWeight: 180.0087
MdlNumber: MFCD04115650
Smiles: OCCCc1cccc(c1)B(O)O
Complexity: 141
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB48329
ChemicalName:
3-(3-Hydroxypropyl)phenylboronic acid
CasNumber:
736989-98-3
MolecularFormula:
C9H13BO3
MolecularWeight:
180.0087
MdlNumber:
MFCD04115650
Smiles:
OCCCc1cccc(c1)B(O)O
Complexity:
141
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
__