1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C13H18F3N3O — CID 87008378

IUPAC1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2cn(C)nc2C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3O/c1-8-3-5-9(6-4-8)17-12(20)10-7-19(2)18-11(10)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,20)
InChIKeyAUACXXNHHJJANM-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.75
Rot. Bonds2

About 1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87008378) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87008378
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2cn(C)nc2C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3O/c1-8-3-5-9(6-4-8)17-12(20)10-7-19(2)18-11(10)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,20)
InChIKeyAUACXXNHHJJANM-UHFFFAOYSA-N
XLogP2.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-1-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 19575668
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
N-(4-amino-4-oxobutyl)-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56818095
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72862716
1-ethyl-N-(2-sulfanylethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 177680431
N-(tert-butyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 42352825
N-(cyclobutylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 33381566
N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 95756432
5-(1-Ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201430

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87008378) is 1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is CC1CCC(NC(=O)c2cn(C)nc2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is AUACXXNHHJJANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8-3-5-9(6-4-8)17-12(20)10-7-19(2)18-11(10)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,20).
What are the key properties of 1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87008378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).