N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide

C11H17N3O — CID 47471556

IUPACN-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide
SMILESCc1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C11H17N3O/c1-8-10(7-12-14-8)13-11(15)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,14)(H,13,15)
InChIKeyTZCIJBUPPQTVIQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.24
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide

N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide (PubChem CID 47471556) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide
PubChem CID47471556
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide
SMILESCc1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C11H17N3O/c1-8-10(7-12-14-8)13-11(15)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,14)(H,13,15)
InChIKeyTZCIJBUPPQTVIQ-UHFFFAOYSA-N
XLogP2.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide 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 N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide (CID 47471556) is N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide is Cc1[nH]ncc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide?
The InChIKey is TZCIJBUPPQTVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-10(7-12-14-8)13-11(15)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide?
N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide has a molecular weight of 207.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 47471556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).