2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid

C19H19FN2O2 — CID 82072232

IUPAC2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid
SMILESCC1=NN(c2ccc(C)c(C)c2)C(c2ccc(F)cc2)C1C(=O)O
InChIInChI=1S/C19H19FN2O2/c1-11-4-9-16(10-12(11)2)22-18(14-5-7-15(20)8-6-14)17(19(23)24)13(3)21-22/h4-10,17-18H,1-3H3,(H,23,24)
InChIKeyADBQSTRXJABXQJ-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.08
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid

2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid (PubChem CID 82072232) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid
PubChem CID82072232
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid
SMILESCC1=NN(c2ccc(C)c(C)c2)C(c2ccc(F)cc2)C1C(=O)O
InChIInChI=1S/C19H19FN2O2/c1-11-4-9-16(10-12(11)2)22-18(14-5-7-15(20)8-6-14)17(19(23)24)13(3)21-22/h4-10,17-18H,1-3H3,(H,23,24)
InChIKeyADBQSTRXJABXQJ-UHFFFAOYSA-N
XLogP4.08
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid
CID 82073003
3-(2-fluorophenyl)-2-(3-methoxyphenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid
CID 82072756
methyl 4-(4-fluorobenzoyl)-2-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazole-5-carboxylate
CID 134102141
5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 3576414
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108601139
ethyl 4-(4-chlorobenzoyl)-2,3-bis(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate
CID 134114415
(4E)-1-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-[hydroxy-(2-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108601081
4-(4-cyano-3-methylphenyl)-5-(4-fluorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,11,13-tetraene-12-carboxylic acid
CID 143664514
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbenzoic acid;methanethioamide
CID 177332519
(4E)-1-(3,4-dimethylphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
CID 108638624
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 113075520
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid (CID 82072232) is 2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid is CC1=NN(c2ccc(C)c(C)c2)C(c2ccc(F)cc2)C1C(=O)O.
What is the InChIKey of 2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid?
The InChIKey is ADBQSTRXJABXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-11-4-9-16(10-12(11)2)22-18(14-5-7-15(20)8-6-14)17(19(23)24)13(3)21-22/h4-10,17-18H,1-3H3,(H,23,24).
What are the key properties of 2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid?
2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 82072232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).