1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide

C11H17N3O2 — CID 175719624

IUPAC1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide
SMILESCC1(O)CCC(n2cc(C(N)=O)cn2)CC1
InChIInChI=1S/C11H17N3O2/c1-11(16)4-2-9(3-5-11)14-7-8(6-13-14)10(12)15/h6-7,9,16H,2-5H2,1H3,(H2,12,15)
InChIKeyYLRNJZWNIJATAQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.85
Rot. Bonds2

About 1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide

1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide (PubChem CID 175719624) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide
PubChem CID175719624
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide
SMILESCC1(O)CCC(n2cc(C(N)=O)cn2)CC1
InChIInChI=1S/C11H17N3O2/c1-11(16)4-2-9(3-5-11)14-7-8(6-13-14)10(12)15/h6-7,9,16H,2-5H2,1H3,(H2,12,15)
InChIKeyYLRNJZWNIJATAQ-UHFFFAOYSA-N
XLogP0.85
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide (CID 175719624) is 1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide is CC1(O)CCC(n2cc(C(N)=O)cn2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide?
The InChIKey is YLRNJZWNIJATAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(16)4-2-9(3-5-11)14-7-8(6-13-14)10(12)15/h6-7,9,16H,2-5H2,1H3,(H2,12,15).
What are the key properties of 1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide?
1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175719624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).