AA45446
129560-01-6 | 2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA45446
ChemicalName
2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CasNumber
129560-01-6
MolecularFormula
C8H10N2O2
MolecularWeight
166.1772
MdlNumber
MFCD20646673
Smiles
OC(=O)c1n(C)nc2c1CCC2
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AA45446
ChemicalName: 2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CasNumber: 129560-01-6
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD20646673
Smiles: OC(=O)c1n(C)nc2c1CCC2
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AA45446
ChemicalName:
2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CasNumber:
129560-01-6
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD20646673
Smiles:
OC(=O)c1n(C)nc2c1CCC2
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1nn(c(c1Cl)C(=O)Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCc1nn(c(c1Cl)C(=O)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)Oc1ccc(cc1)C)C
Complexity: 476
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)Oc1ccc(cc1)C)C
Complexity:
476
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.7
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(=O)Oc1c[nH]c2c1c(Cl)c(Br)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(=O)Oc1c[nH]c2c1c(Cl)c(Br)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__