2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one

C23H25N3O2 — CID 170525055

IUPAC2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2C2CCCCC2)c(=O)c1/C=N/c1ccccc1O
InChIInChI=1S/C23H25N3O2/c1-16-19(15-24-20-12-6-8-14-22(20)27)23(28)26(25-16)21-13-7-5-11-18(21)17-9-3-2-4-10-17/h5-8,11-15,17,25,27H,2-4,9-10H2,1H3/b24-15+
InChIKeyVXJUGSCCRZTLDH-BUVRLJJBSA-N
MW375.47 g/mol
LogP4.98
Rot. Bonds4

About 2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one

2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one (PubChem CID 170525055) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one
PubChem CID170525055
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2C2CCCCC2)c(=O)c1/C=N/c1ccccc1O
InChIInChI=1S/C23H25N3O2/c1-16-19(15-24-20-12-6-8-14-22(20)27)23(28)26(25-16)21-13-7-5-11-18(21)17-9-3-2-4-10-17/h5-8,11-15,17,25,27H,2-4,9-10H2,1H3/b24-15+
InChIKeyVXJUGSCCRZTLDH-BUVRLJJBSA-N
XLogP4.98
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-cyclohexyl-4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one
CID 170525045
4-[(2,5-dimethylphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one
CID 135635057
4-[(4-chloro-2-hydroxyphenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 170525058
4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione
CID 793655
4-(cycloheptyliminomethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 804939
4-[(2-chlorophenyl)iminomethyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 687874
2-methyl-6-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzoic acid
CID 170524683
2-[[2-(4-bromo-2,3-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoic acid
CID 135628591
2-(2,4-dimethylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-3-oxo-1H-pyrazole-5-carbonitrile
CID 170525130
3-chloro-2-[[2-(2-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoic acid
CID 170524788
2-(4-bromo-2,3-dimethylphenyl)-5-methyl-4-(naphthalen-1-yliminomethyl)-1H-pyrazol-3-one
CID 137070337
4-[(2,3-dichlorophenyl)iminomethyl]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one
CID 1221011

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one (CID 170525055) is 2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2C2CCCCC2)c(=O)c1/C=N/c1ccccc1O.
What is the InChIKey of 2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is VXJUGSCCRZTLDH-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-19(15-24-20-12-6-8-14-22(20)27)23(28)26(25-16)21-13-7-5-11-18(21)17-9-3-2-4-10-17/h5-8,11-15,17,25,27H,2-4,9-10H2,1H3/b24-15+.
What are the key properties of 2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one?
2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 375.47 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylphenyl)-4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 170525055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).