1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide

C18H31N3O — CID 155970098

IUPAC1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCCCCn1cc(C(=O)NCC2(CC)CCCCC2)c(C)n1
InChIInChI=1S/C18H31N3O/c1-4-6-12-21-13-16(15(3)20-21)17(22)19-14-18(5-2)10-8-7-9-11-18/h13H,4-12,14H2,1-3H3,(H,19,22)
InChIKeyKBWNAYCFRMTKIH-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.08
Rot. Bonds7

About 1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide

1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 155970098) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide
PubChem CID155970098
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCCCCn1cc(C(=O)NCC2(CC)CCCCC2)c(C)n1
InChIInChI=1S/C18H31N3O/c1-4-6-12-21-13-16(15(3)20-21)17(22)19-14-18(5-2)10-8-7-9-11-18/h13H,4-12,14H2,1-3H3,(H,19,22)
InChIKeyKBWNAYCFRMTKIH-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-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

Related Compounds

3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide
CID 72885985
3-methyl-1-octylpyrazole-4-carboxylic acid
CID 14277915
3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide
CID 97126258
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811424
4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 114107091
N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103737261
1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544806
5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
CID 103940231
N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103766399
1-butyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103740930
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide
CID 131916562
N-[(1-ethylcyclopentyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113257957

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide (CID 155970098) is 1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide is CCCCn1cc(C(=O)NCC2(CC)CCCCC2)c(C)n1.
What is the InChIKey of 1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is KBWNAYCFRMTKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-4-6-12-21-13-16(15(3)20-21)17(22)19-14-18(5-2)10-8-7-9-11-18/h13H,4-12,14H2,1-3H3,(H,19,22).
What are the key properties of 1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide?
1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 305.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 155970098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).