AB49885
21230-43-3 | Ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB49885
ChemicalName
Ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CasNumber
21230-43-3
MolecularFormula
C7H11N3O2
MolecularWeight
169.1811
MdlNumber
MFCD00101268
Smiles
CCOC(=O)c1cn(nc1N)C
NscNumber
75242
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.7
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CatalogNumber: AB49885
ChemicalName: Ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CasNumber: 21230-43-3
MolecularFormula: C7H11N3O2
MolecularWeight: 169.1811
MdlNumber: MFCD00101268
Smiles: CCOC(=O)c1cn(nc1N)C
NscNumber: 75242
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AB49885
ChemicalName:
Ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CasNumber:
21230-43-3
MolecularFormula:
C7H11N3O2
MolecularWeight:
169.1811
MdlNumber:
MFCD00101268
Smiles:
CCOC(=O)c1cn(nc1N)C
NscNumber:
75242
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NCC2(O1)CCNCC2
NscNumber: __
Complexity: 175
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NCC2(O1)CCNCC2
NscNumber:
__
Complexity:
175
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.3
CatalogNumber: AB49887
ChemicalName: 4-Methyl-3-pentenoic acid
CasNumber: 504-85-8
MolecularFormula: C6H10O2
MolecularWeight: 114.1424
MdlNumber: MFCD01846267
Smiles: OC(=O)CC=C(C)C
NscNumber: __
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB49887
ChemicalName:
4-Methyl-3-pentenoic acid
CasNumber:
504-85-8
MolecularFormula:
C6H10O2
MolecularWeight:
114.1424
MdlNumber:
MFCD01846267
Smiles:
OC(=O)CC=C(C)C
NscNumber:
__
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AB49888
ChemicalName: 4-Amino-2-phenylpyridine
CasNumber: 21203-86-1
MolecularFormula: C11H10N2
MolecularWeight: 170.2105
MdlNumber: MFCD01646280
Smiles: Nc1ccnc(c1)c1ccccc1
NscNumber: __
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB49888
ChemicalName:
4-Amino-2-phenylpyridine
CasNumber:
21203-86-1
MolecularFormula:
C11H10N2
MolecularWeight:
170.2105
MdlNumber:
MFCD01646280
Smiles:
Nc1ccnc(c1)c1ccccc1
NscNumber:
__
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1