4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide

C14H23N3O — CID 130238513

IUPAC4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESCCC1(C)CCC(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C14H23N3O/c1-3-14(2)6-4-12(5-7-14)13(18)15-8-11-9-16-17-10-11/h9-10,12H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXMPKEFWDNJNSAZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.63
Rot. Bonds4

About 4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide

4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 130238513) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID130238513
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESCCC1(C)CCC(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C14H23N3O/c1-3-14(2)6-4-12(5-7-14)13(18)15-8-11-9-16-17-10-11/h9-10,12H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXMPKEFWDNJNSAZ-UHFFFAOYSA-N
XLogP2.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-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

N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclohexanecarboxamide
CID 1246452
N-({trans-4-[(methylamino)carbonyl]cyclohexyl}methyl)-1H-pyrazole-4-carboxamide
CID 77082666
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78962898
N-methyl-N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932780
4,4-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 81932796
N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932833
4,4-difluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 81932854
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103856220
N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103856617
4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 103860811

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide (CID 130238513) is 4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide is CCC1(C)CCC(C(=O)NCc2cn[nH]c2)CC1.
What is the InChIKey of 4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is XMPKEFWDNJNSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-14(2)6-4-12(5-7-14)13(18)15-8-11-9-16-17-10-11/h9-10,12H,3-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 130238513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).