2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one

C14H24N2O2 — CID 66020691

IUPAC2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCCCC2O)c(=O)c1C(C)C
InChIInChI=1S/C14H24N2O2/c1-9(2)13-10(3)15-16(14(13)18)11-7-5-4-6-8-12(11)17/h9,11-12,15,17H,4-8H2,1-3H3
InChIKeyIDHFORNVBRXYPU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.47
Rot. Bonds2

About 2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one

2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one (PubChem CID 66020691) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
PubChem CID66020691
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCCCC2O)c(=O)c1C(C)C
InChIInChI=1S/C14H24N2O2/c1-9(2)13-10(3)15-16(14(13)18)11-7-5-4-6-8-12(11)17/h9,11-12,15,17H,4-8H2,1-3H3
InChIKeyIDHFORNVBRXYPU-UHFFFAOYSA-N
XLogP2.47
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-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

CID 66020692
CID 66020692
CID 66020276
CID 66020276
CID 66020277
CID 66020277
CID 66020278
CID 66020278
CID 66020485
CID 66020485
CID 66020690
CID 66020690
CID 66020895
CID 66020895
CID 66020896
CID 66020896
CID 66021102
CID 66021102
CID 66021509
CID 66021509
CID 66021925
CID 66021925
CID 66022341
CID 66022341

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one (CID 66020691) is 2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one is Cc1[nH]n(C2CCCCCC2O)c(=O)c1C(C)C.
What is the InChIKey of 2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is IDHFORNVBRXYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)13-10(3)15-16(14(13)18)11-7-5-4-6-8-12(11)17/h9,11-12,15,17H,4-8H2,1-3H3.
What are the key properties of 2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one?
2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 252.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycycloheptyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 66020691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).