2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

C13H12F3N3O2 — CID 19481229

IUPAC2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)n(C)n1
InChIInChI=1S/C13H12F3N3O2/c1-8-7-11(19(2)18-8)12(20)17-9-3-5-10(6-4-9)21-13(14,15)16/h3-7H,1-2H3,(H,17,20)
InChIKeyQAFVUTMGYIGWHR-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.88
Rot. Bonds3

About 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (PubChem CID 19481229) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
PubChem CID19481229
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)n(C)n1
InChIInChI=1S/C13H12F3N3O2/c1-8-7-11(19(2)18-8)12(20)17-9-3-5-10(6-4-9)21-13(14,15)16/h3-7H,1-2H3,(H,17,20)
InChIKeyQAFVUTMGYIGWHR-UHFFFAOYSA-N
XLogP2.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477475
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
CID 59241608
4-chloro-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481523
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,5-dimethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166215437
1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid
CID 135345841
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549
2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 61069082
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66128409

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (CID 19481229) is 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The InChIKey is QAFVUTMGYIGWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-8-7-11(19(2)18-8)12(20)17-9-3-5-10(6-4-9)21-13(14,15)16/h3-7H,1-2H3,(H,17,20).
What are the key properties of 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19481229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).