4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one

C17H23N3O — CID 61272531

IUPAC4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one
SMILESCCn1c(-c2ccccc2)c(N)c(=O)n1C1CCCCC1
InChIInChI=1S/C17H23N3O/c1-2-19-16(13-9-5-3-6-10-13)15(18)17(21)20(19)14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12,18H2,1H3
InChIKeyVFMVBNAXVZCHQZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.42
Rot. Bonds3

About 4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one

4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one (PubChem CID 61272531) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one
PubChem CID61272531
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one
SMILESCCn1c(-c2ccccc2)c(N)c(=O)n1C1CCCCC1
InChIInChI=1S/C17H23N3O/c1-2-19-16(13-9-5-3-6-10-13)15(18)17(21)20(19)14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12,18H2,1H3
InChIKeyVFMVBNAXVZCHQZ-UHFFFAOYSA-N
XLogP3.42
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 61272532
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2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one
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4-amino-2-cycloheptyl-1-methyl-5-propan-2-ylpyrazol-3-one
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4-amino-5-cyclopropyl-2-(1,1-dioxothiolan-3-yl)-1-ethylpyrazol-3-one
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1-cyclohexyl-4,5-diphenyltriazole
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CID 4990028
3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one
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4-amino-2-(4-aminophenyl)-1-methyl-5-phenylpyrazol-3-one
CID 11747946
ethyl (4S,5R)-3-cyclooctyl-2-oxo-5-phenyl-1-propylimidazolidine-4-carboxylate
CID 122397231

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one?
The IUPAC name of 4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one (CID 61272531) is 4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one?
The canonical SMILES for 4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one is CCn1c(-c2ccccc2)c(N)c(=O)n1C1CCCCC1.
What is the InChIKey of 4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one?
The InChIKey is VFMVBNAXVZCHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-19-16(13-9-5-3-6-10-13)15(18)17(21)20(19)14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12,18H2,1H3.
What are the key properties of 4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one?
4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one has a molecular weight of 285.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one is sourced from PubChem (CID 61272531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).