AA11253
113513-27-2 | 5-Amino-3-(3-aminopropyl)-1h-pyrazole-4-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA11253
ChemicalName
5-Amino-3-(3-aminopropyl)-1h-pyrazole-4-carbonitrile
CasNumber
113513-27-2
MolecularFormula
C7H11N5
MolecularWeight
165.1957
MdlNumber
MFCD02370767
Smiles
NCCCc1[nH]nc(c1C#N)N
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-0.1
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CatalogNumber: AA11253
ChemicalName: 5-Amino-3-(3-aminopropyl)-1h-pyrazole-4-carbonitrile
CasNumber: 113513-27-2
MolecularFormula: C7H11N5
MolecularWeight: 165.1957
MdlNumber: MFCD02370767
Smiles: NCCCc1[nH]nc(c1C#N)N
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AA11253
ChemicalName:
5-Amino-3-(3-aminopropyl)-1h-pyrazole-4-carbonitrile
CasNumber:
113513-27-2
MolecularFormula:
C7H11N5
MolecularWeight:
165.1957
MdlNumber:
MFCD02370767
Smiles:
NCCCc1[nH]nc(c1C#N)N
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-0.1
CatalogNumber: AA11255
ChemicalName: 5-Amino-2,4-difluorophenol
CasNumber: 113512-71-3
MolecularFormula: C6H5F2NO
MolecularWeight: 145.1068
MdlNumber: MFCD04973718
Smiles: Nc1cc(O)c(cc1F)F
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AA11255
ChemicalName:
5-Amino-2,4-difluorophenol
CasNumber:
113512-71-3
MolecularFormula:
C6H5F2NO
MolecularWeight:
145.1068
MdlNumber:
MFCD04973718
Smiles:
Nc1cc(O)c(cc1F)F
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AA11256
ChemicalName: 2,4-Difluoro-5-nitrophenol
CasNumber: 113512-57-5
MolecularFormula: C6H3F2NO3
MolecularWeight: 175.0897
MdlNumber: MFCD08443942
Smiles: [O-][N+](=O)c1cc(O)c(cc1F)F
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AA11256
ChemicalName:
2,4-Difluoro-5-nitrophenol
CasNumber:
113512-57-5
MolecularFormula:
C6H3F2NO3
MolecularWeight:
175.0897
MdlNumber:
MFCD08443942
Smiles:
[O-][N+](=O)c1cc(O)c(cc1F)F
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1c(N)nc(nc1CC)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1c(N)nc(nc1CC)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__