N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C21H24F3N3O — CID 47024593

IUPACN-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C2CCCCC2)C2CC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N3O/c1-14-19(20(28)26(17-10-11-17)16-7-3-2-4-8-16)13-25-27(14)18-9-5-6-15(12-18)21(22,23)24/h5-6,9,12-13,16-17H,2-4,7-8,10-11H2,1H3
InChIKeyNSLWOYIQVGGDRQ-UHFFFAOYSA-N
MW391.44 g/mol
LogP5.14
Rot. Bonds4

About N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 47024593) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID47024593
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC NameN-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C2CCCCC2)C2CC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N3O/c1-14-19(20(28)26(17-10-11-17)16-7-3-2-4-8-16)13-25-27(14)18-9-5-6-15(12-18)21(22,23)24/h5-6,9,12-13,16-17H,2-4,7-8,10-11H2,1H3
InChIKeyNSLWOYIQVGGDRQ-UHFFFAOYSA-N
XLogP5.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.44
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30766832
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CID 86989029
N,5-dimethyl-N-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 124613785
N-ethyl-5-methyl-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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2-methyl-2-[methyl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119200825
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 43051808
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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CID 71908614
5-methyl-N-propyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119532120
ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54513433
N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30766739
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 47024593) is N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)N(C2CCCCC2)C2CC2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is NSLWOYIQVGGDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O/c1-14-19(20(28)26(17-10-11-17)16-7-3-2-4-8-16)13-25-27(14)18-9-5-6-15(12-18)21(22,23)24/h5-6,9,12-13,16-17H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 47024593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).