1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid

C15H12N2O2S — CID 82362032

IUPAC1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C15H12N2O2S/c18-15(19)14-10-12(9-13-7-4-8-20-13)17(16-14)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,18,19)
InChIKeyFVVNVEPPKDDELE-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.22
Rot. Bonds4

About 1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid

1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid (PubChem CID 82362032) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid
PubChem CID82362032
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C15H12N2O2S/c18-15(19)14-10-12(9-13-7-4-8-20-13)17(16-14)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,18,19)
InChIKeyFVVNVEPPKDDELE-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid
CID 124701077
1-(2-hydroxyphenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82362023
1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362040
2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
CID 22416732
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 8850204
2-[3-(5-benzyl-1-phenylpyrazol-3-yl)-4H-pyridin-1-yl]-1-thiophen-2-ylethanone
CID 66644181
1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 43542791
3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 9398113
3-phenyl-4-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxylic acid
CID 102543770
N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 31836968
5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid (CID 82362032) is 1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid is O=C(O)c1cc(Cc2cccs2)n(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid?
The InChIKey is FVVNVEPPKDDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-15(19)14-10-12(9-13-7-4-8-20-13)17(16-14)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,18,19).
What are the key properties of 1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid?
1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82362032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).