AD19064
152120-61-1 | N-Boc-1H-pyrazole-1-carboxamidine
Manufacturer: A2B Chem
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CatalogNumber
AD19064
ChemicalName
N-Boc-1H-pyrazole-1-carboxamidine
CasNumber
152120-61-1
MolecularFormula
C9H14N4O2
MolecularWeight
210.2331
MdlNumber
MFCD00216663
Smiles
O=C(OC(C)(C)C)/N=C(/n1cccn1)N
Complexity
270
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AD19064
ChemicalName: N-Boc-1H-pyrazole-1-carboxamidine
CasNumber: 152120-61-1
MolecularFormula: C9H14N4O2
MolecularWeight: 210.2331
MdlNumber: MFCD00216663
Smiles: O=C(OC(C)(C)C)/N=C(/n1cccn1)N
Complexity: 270
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AD19064
ChemicalName:
N-Boc-1H-pyrazole-1-carboxamidine
CasNumber:
152120-61-1
MolecularFormula:
C9H14N4O2
MolecularWeight:
210.2331
MdlNumber:
MFCD00216663
Smiles:
O=C(OC(C)(C)C)/N=C(/n1cccn1)N
Complexity:
270
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=C=Nc1ccc(cc1)SC1=C(CCCC1=CC=C1N(CCCCS(=O)(=O)[O-])c2c(C1(C)C)cccc2)C=CC1=[N+](CCCCS(=O)(=O)[O-])c2c(C1(C)C)cccc2.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
S=C=Nc1ccc(cc1)SC1=C(CCCC1=CC=C1N(CCCCS(=O)(=O)[O-])c2c(C1(C)C)cccc2)C=CC1=[N+](CCCCS(=O)(=O)[O-])c2c(C1(C)C)cccc2.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1C=CC(=O)N1C(N1C(=O)C=CC1=O)OC(N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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__
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Smiles:
O=C1C=CC(=O)N1C(N1C(=O)C=CC1=O)OC(N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: N[C@@H](C(=O)OC(C)(C)C)CCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H](C(=O)OC(C)(C)C)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__