4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C12H15ClF3N3O — CID 4769865

IUPAC4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NC1CCCCC1
InChIInChI=1S/C12H15ClF3N3O/c1-19-9(8(13)10(18-19)12(14,15)16)11(20)17-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,17,20)
InChIKeyRAJUCTFLQHHGBF-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.15
Rot. Bonds2

About 4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4769865) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4769865
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NC1CCCCC1
InChIInChI=1S/C12H15ClF3N3O/c1-19-9(8(13)10(18-19)12(14,15)16)11(20)17-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,17,20)
InChIKeyRAJUCTFLQHHGBF-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-cyclohexylhydrazinecarboxamide
CID 831788
1-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 844749
(4-Chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 841673
4-chloro-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 70739636
4-chloro-N-cyclopentyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 832003
N-(butan-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3124864
N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4037655
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 19575395
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-chloro-N-cyclopentyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768561
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768527
4-chloro-N-cyclooctyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769852

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4769865) is 4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NC1CCCCC1.
What is the InChIKey of 4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is RAJUCTFLQHHGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-19-9(8(13)10(18-19)12(14,15)16)11(20)17-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,17,20).
What are the key properties of 4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 309.72 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4769865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).