2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one

C17H22N2O — CID 104844889

IUPAC2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one
SMILESCc1c(-c2ccccc2)[nH]n(C2CCCCCC2)c1=O
InChIInChI=1S/C17H22N2O/c1-13-16(14-9-5-4-6-10-14)18-19(17(13)20)15-11-7-2-3-8-12-15/h4-6,9-10,15,18H,2-3,7-8,11-12H2,1H3
InChIKeyLKTOBDUIJWNSFO-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.05
Rot. Bonds2

About 2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one

2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one (PubChem CID 104844889) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one
PubChem CID104844889
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one
SMILESCc1c(-c2ccccc2)[nH]n(C2CCCCCC2)c1=O
InChIInChI=1S/C17H22N2O/c1-13-16(14-9-5-4-6-10-14)18-19(17(13)20)15-11-7-2-3-8-12-15/h4-6,9-10,15,18H,2-3,7-8,11-12H2,1H3
InChIKeyLKTOBDUIJWNSFO-UHFFFAOYSA-N
XLogP4.05
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cycloheptyl-4,5-dimethyl-1H-pyrazol-3-one
CID 66022942
2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
CID 10899399
2-cyclopentyl-5-phenyl-1H-pyrazol-3-one
CID 66020671
4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one
CID 112693118
3-cyclohexyl-4-hydroxy-5-phenyl-1H-imidazol-2-one
CID 91286309
2-cyclohexyl-1H-naphtho[2,3-g]indazole-3,6,11-trione
CID 2847852
4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one
CID 103995212
2-cycloheptyl-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
CID 66022732
5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
CID 102443684
3-methyl-4-phenyl-2-pyrrolidin-3-yl-1H-pyrazol-5-one
CID 67015095
2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-phenyl-1H-pyrazol-3-one
CID 104844857
3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761039

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one (CID 104844889) is 2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one is Cc1c(-c2ccccc2)[nH]n(C2CCCCCC2)c1=O.
What is the InChIKey of 2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one?
The InChIKey is LKTOBDUIJWNSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-16(14-9-5-4-6-10-14)18-19(17(13)20)15-11-7-2-3-8-12-15/h4-6,9-10,15,18H,2-3,7-8,11-12H2,1H3.
What are the key properties of 2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one?
2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one has a molecular weight of 270.38 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 104844889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).