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

C15H13FN2O2S — CID 82073003

IUPAC2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid
SMILESCC1=NN(c2ccc(F)cc2)C(c2cccs2)C1C(=O)O
InChIInChI=1S/C15H13FN2O2S/c1-9-13(15(19)20)14(12-3-2-8-21-12)18(17-9)11-6-4-10(16)5-7-11/h2-8,13-14H,1H3,(H,19,20)
InChIKeyWDWNRVGBIPISGS-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.53
Rot. Bonds3

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

2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid (PubChem CID 82073003) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid
PubChem CID82073003
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid
SMILESCC1=NN(c2ccc(F)cc2)C(c2cccs2)C1C(=O)O
InChIInChI=1S/C15H13FN2O2S/c1-9-13(15(19)20)14(12-3-2-8-21-12)18(17-9)11-6-4-10(16)5-7-11/h2-8,13-14H,1H3,(H,19,20)
InChIKeyWDWNRVGBIPISGS-UHFFFAOYSA-N
XLogP3.53
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid (CID 82073003) is 2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid is CC1=NN(c2ccc(F)cc2)C(c2cccs2)C1C(=O)O.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid?
The InChIKey is WDWNRVGBIPISGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-9-13(15(19)20)14(12-3-2-8-21-12)18(17-9)11-6-4-10(16)5-7-11/h2-8,13-14H,1H3,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid?
2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 82073003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).