1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

C18H12F4N2O2 — CID 3672642

IUPAC1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H12F4N2O2/c1-10-15(17(25)26)16(11-2-4-12(5-3-11)18(20,21)22)23-24(10)14-8-6-13(19)7-9-14/h2-9H,1H3,(H,25,26)
InChIKeyRDSMKXUYSIGDLH-UHFFFAOYSA-N
MW364.30 g/mol
LogP4.70
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid (PubChem CID 3672642) has the molecular formula C18H12F4N2O2 and a molecular weight of 364.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
PubChem CID3672642
Molecular FormulaC18H12F4N2O2
Molecular Weight364.30 g/mol
Exact Mass364.08
IUPAC Name1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H12F4N2O2/c1-10-15(17(25)26)16(11-2-4-12(5-3-11)18(20,21)22)23-24(10)14-8-6-13(19)7-9-14/h2-9H,1H3,(H,25,26)
InChIKeyRDSMKXUYSIGDLH-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872
1-(4-chlorophenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3821841
1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3608503
5-chloro-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 175213535
3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid
CID 3796959
1-(4-chlorophenyl)-3-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid
CID 3796958
ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 25243551
1-(4-fluorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 162534609
5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309951
1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3831748
1-(4-fluorophenyl)-3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 25492307

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid (CID 3672642) is 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid is Cc1c(C(=O)O)c(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid?
The InChIKey is RDSMKXUYSIGDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O2/c1-10-15(17(25)26)16(11-2-4-12(5-3-11)18(20,21)22)23-24(10)14-8-6-13(19)7-9-14/h2-9H,1H3,(H,25,26).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid?
1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid has a molecular weight of 364.30 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 3672642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).