1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid

C14H10N2O2S — CID 976497

IUPAC1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C14H10N2O2S/c17-14(18)11-9-16(10-5-2-1-3-6-10)15-13(11)12-7-4-8-19-12/h1-9H,(H,17,18)
InChIKeyJNUDFCKYNBACDY-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.30
Rot. Bonds3

About 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid

1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid (PubChem CID 976497) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid
PubChem CID976497
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C14H10N2O2S/c17-14(18)11-9-16(10-5-2-1-3-6-10)15-13(11)12-7-4-8-19-12/h1-9H,(H,17,18)
InChIKeyJNUDFCKYNBACDY-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
CID 2554530
1,5-diphenyl-1H-pyrazole-4-carboxylic acid
CID 3801066
3-(1-Phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)acrylic acid
CID 876549
1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 620226
1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 847409
7-Oxo-4-[(4-pyrazol-1-ylphenyl)methyl]thieno[3,2-b]pyridine-6-carboxylic acid
CID 46866503
[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
CID 740214
6-[(5E)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 1632447
4-({[1-(2-cyanoethyl)-3-(2-thienyl)-1H-pyrazol-4-yl]carbonyl}amino)benzoic acid
CID 2471330
4-[(2E)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid
CID 9622394
3-[(2E)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid
CID 9650266
4-[[4-(3-Methylpyrazol-1-yl)phenyl]methyl]-7-oxothieno[3,2-b]pyridine-6-carboxylic acid
CID 46885981

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid (CID 976497) is 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The InChIKey is JNUDFCKYNBACDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-14(18)11-9-16(10-5-2-1-3-6-10)15-13(11)12-7-4-8-19-12/h1-9H,(H,17,18).
What are the key properties of 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid?
1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 976497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).