AI51662
51986-01-7 | Ethyl 5-hydroxy-1-isopropyl-1H-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI51662
ChemicalName
Ethyl 5-hydroxy-1-isopropyl-1H-pyrazole-3-carboxylate
CasNumber
51986-01-7
MolecularFormula
C9H14N2O3
MolecularWeight
198.2191
MdlNumber
MFCD17676308
Smiles
CCOC(=O)c1nn(c(c1)O)C(C)C
Complexity
284
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.1
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CatalogNumber: AI51662
ChemicalName: Ethyl 5-hydroxy-1-isopropyl-1H-pyrazole-3-carboxylate
CasNumber: 51986-01-7
MolecularFormula: C9H14N2O3
MolecularWeight: 198.2191
MdlNumber: MFCD17676308
Smiles: CCOC(=O)c1nn(c(c1)O)C(C)C
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.1
CatalogNumber:
AI51662
ChemicalName:
Ethyl 5-hydroxy-1-isopropyl-1H-pyrazole-3-carboxylate
CasNumber:
51986-01-7
MolecularFormula:
C9H14N2O3
MolecularWeight:
198.2191
MdlNumber:
MFCD17676308
Smiles:
CCOC(=O)c1nn(c(c1)O)C(C)C
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Complexity: 329
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Complexity:
329
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(=O)[C@H]1CC[C@@H]2[C@]1(C=O)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(=O)[C@H]1CC[C@@H]2[C@]1(C=O)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__