2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide

C17H24F3N3O — CID 40622035

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C17H24F3N3O/c1-10-4-3-5-13(11(10)2)21-16(24)9-23-14(12-6-7-12)8-15(22-23)17(18,19)20/h8,10-13H,3-7,9H2,1-2H3,(H,21,24)/t10-,11+,13+/m0/s1
InChIKeyFMSVNSGDUOCKNU-DMDPSCGWSA-N
MW343.39 g/mol
LogP3.72
Rot. Bonds4

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 40622035) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
PubChem CID40622035
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C17H24F3N3O/c1-10-4-3-5-13(11(10)2)21-16(24)9-23-14(12-6-7-12)8-15(22-23)17(18,19)20/h8,10-13H,3-7,9H2,1-2H3,(H,21,24)/t10-,11+,13+/m0/s1
InChIKeyFMSVNSGDUOCKNU-DMDPSCGWSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide 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-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19520861
methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
CID 19520968
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 843517
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 843513
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 843383
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide
CID 124849150
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 51423960
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride
CID 19620718
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 19520940
N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514376

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide (CID 40622035) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide is C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is FMSVNSGDUOCKNU-DMDPSCGWSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-10-4-3-5-13(11(10)2)21-16(24)9-23-14(12-6-7-12)8-15(22-23)17(18,19)20/h8,10-13H,3-7,9H2,1-2H3,(H,21,24)/t10-,11+,13+/m0/s1.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 40622035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).