5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid

C15H13F3N2O3 — CID 67314804

IUPAC5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(OC(F)(F)F)cc2)c(C2CC2)c1C(=O)O
InChIInChI=1S/C15H13F3N2O3/c1-8-12(14(21)22)13(9-2-3-9)20(19-8)10-4-6-11(7-5-10)23-15(16,17)18/h4-7,9H,2-3H2,1H3,(H,21,22)
InChIKeyNFHKXLXPUMKCIJ-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.65
Rot. Bonds4

About 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid

5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid (PubChem CID 67314804) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid
PubChem CID67314804
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(OC(F)(F)F)cc2)c(C2CC2)c1C(=O)O
InChIInChI=1S/C15H13F3N2O3/c1-8-12(14(21)22)13(9-2-3-9)20(19-8)10-4-6-11(7-5-10)23-15(16,17)18/h4-7,9H,2-3H2,1H3,(H,21,22)
InChIKeyNFHKXLXPUMKCIJ-UHFFFAOYSA-N
XLogP3.65
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid 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

1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
CID 656965
4-methylphenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate
CID 2740670
1-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 5169045
ethyl 3,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxylate
CID 23646848
3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxylic acid
CID 2745838
Methyl 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 89723873
1-{1-[3-(hydroxymethyl)-4-methoxyphenyl]-3,5-dimethyl-1H-pyrazol-4-yl}ethanone
CID 50949952
2-(4-Methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one
CID 57393455
Ethyl 1-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 13812946
3,4-Diacetyl-1-(4-methoxyphenyl)-5-methylpyrazole
CID 13077733
5-cyclopropyl-N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-
CID 155287049

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid (CID 67314804) is 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid is Cc1nn(-c2ccc(OC(F)(F)F)cc2)c(C2CC2)c1C(=O)O.
What is the InChIKey of 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid?
The InChIKey is NFHKXLXPUMKCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-8-12(14(21)22)13(9-2-3-9)20(19-8)10-4-6-11(7-5-10)23-15(16,17)18/h4-7,9H,2-3H2,1H3,(H,21,22).
What are the key properties of 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid?
5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid has a molecular weight of 326.27 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 67314804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).