AE62765
1345471-37-5 | 5-Iodo-3-methyl-1-(THP)pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AE62765
ChemicalName
5-Iodo-3-methyl-1-(THP)pyrazole
CasNumber
1345471-37-5
MolecularFormula
C9H13IN2O
MolecularWeight
292.1168
MdlNumber
MFCD20441934
Smiles
Cc1nn(c(c1)I)C1CCCCO1
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AE62765
ChemicalName: 5-Iodo-3-methyl-1-(THP)pyrazole
CasNumber: 1345471-37-5
MolecularFormula: C9H13IN2O
MolecularWeight: 292.1168
MdlNumber: MFCD20441934
Smiles: Cc1nn(c(c1)I)C1CCCCO1
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AE62765
ChemicalName:
5-Iodo-3-methyl-1-(THP)pyrazole
CasNumber:
1345471-37-5
MolecularFormula:
C9H13IN2O
MolecularWeight:
292.1168
MdlNumber:
MFCD20441934
Smiles:
Cc1nn(c(c1)I)C1CCCCO1
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCN1CCC(CC1)N)C.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCN1CCC(CC1)N)C.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1)c1ccccc1N(C)C
Complexity: 303
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(c1)c1ccccc1N(C)C
Complexity:
303
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.5
CatalogNumber: AE62768
ChemicalName: 3-Iodo-1-(oxan-2-yl)pyrazole
CasNumber: 1305323-24-3
MolecularFormula: C8H11IN2O
MolecularWeight: 278.09021
MdlNumber: MFCD22549337
Smiles: Ic1ccn(n1)C1CCCCO1
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AE62768
ChemicalName:
3-Iodo-1-(oxan-2-yl)pyrazole
CasNumber:
1305323-24-3
MolecularFormula:
C8H11IN2O
MolecularWeight:
278.09021
MdlNumber:
MFCD22549337
Smiles:
Ic1ccn(n1)C1CCCCO1
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7