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

C17H22N2O — CID 69298374

IUPAC3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one
SMILESCc1c(C2CCCCCC2)n(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H22N2O/c1-13-16(14-9-5-2-3-6-10-14)19(18-17(13)20)15-11-7-4-8-12-15/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3,(H,18,20)
InChIKeyCWOCDHBTJZABDQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.91
Rot. Bonds2

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

3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one (PubChem CID 69298374) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one
PubChem CID69298374
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one
SMILESCc1c(C2CCCCCC2)n(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H22N2O/c1-13-16(14-9-5-2-3-6-10-14)19(18-17(13)20)15-11-7-4-8-12-15/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3,(H,18,20)
InChIKeyCWOCDHBTJZABDQ-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one (CID 69298374) is 3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one is Cc1c(C2CCCCCC2)n(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one?
The InChIKey is CWOCDHBTJZABDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-16(14-9-5-2-3-6-10-14)19(18-17(13)20)15-11-7-4-8-12-15/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3,(H,18,20).
What are the key properties of 3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one?
3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one has a molecular weight of 270.38 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 69298374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).