N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide

C13H20ClN3O — CID 19296920

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)C1CCCCC1
InChIInChI=1S/C13H20ClN3O/c1-2-17-12(11(14)8-16-17)9-15-13(18)10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H,15,18)
InChIKeyLYHUVQPOGUGAQY-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.75
Rot. Bonds4

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide (PubChem CID 19296920) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide
PubChem CID19296920
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)C1CCCCC1
InChIInChI=1S/C13H20ClN3O/c1-2-17-12(11(14)8-16-17)9-15-13(18)10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H,15,18)
InChIKeyLYHUVQPOGUGAQY-UHFFFAOYSA-N
XLogP2.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide 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

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide
CID 19464702
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 17023494
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]acetamide
CID 19296798
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
CID 19322664
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19296706
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-nitrobenzamide
CID 19322650
1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[3-(dimethylamino)propyl]thiourea
CID 19327050
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296892
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296799
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxybenzamide
CID 19296867
cis-(1R,2S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1257858

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide (CID 19296920) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide is CCn1ncc(Cl)c1CNC(=O)C1CCCCC1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide?
The InChIKey is LYHUVQPOGUGAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-17-12(11(14)8-16-17)9-15-13(18)10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H,15,18).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide has a molecular weight of 269.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 19296920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).