1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid

C18H15FN2O2 — CID 812149

IUPAC1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
SMILESCc1ccc(-n2nc(-c3ccccc3F)cc2C(=O)O)c(C)c1
InChIInChI=1S/C18H15FN2O2/c1-11-7-8-16(12(2)9-11)21-17(18(22)23)10-15(20-21)13-5-3-4-6-14(13)19/h3-10H,1-2H3,(H,22,23)
InChIKeyZFYRSPIYWCOECH-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.99
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid

1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid (PubChem CID 812149) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
PubChem CID812149
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
SMILESCc1ccc(-n2nc(-c3ccccc3F)cc2C(=O)O)c(C)c1
InChIInChI=1S/C18H15FN2O2/c1-11-7-8-16(12(2)9-11)21-17(18(22)23)10-15(20-21)13-5-3-4-6-14(13)19/h3-10H,1-2H3,(H,22,23)
InChIKeyZFYRSPIYWCOECH-UHFFFAOYSA-N
XLogP3.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide
CID 3957723
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 7271774
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-amine
CID 43381660
[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3971984
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4046396
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]methanone
CID 7283089
3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid
CID 83731165
[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 42759128
ethyl 1-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 3473710
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204
[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1053794
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid (CID 812149) is 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid is Cc1ccc(-n2nc(-c3ccccc3F)cc2C(=O)O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid?
The InChIKey is ZFYRSPIYWCOECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-7-8-16(12(2)9-11)21-17(18(22)23)10-15(20-21)13-5-3-4-6-14(13)19/h3-10H,1-2H3,(H,22,23).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid?
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 812149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).