1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde

C14H10N2OS — CID 620226

IUPAC1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C14H10N2OS/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h1-10H
InChIKeyHVDFEBGVPKLCCY-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.41
Rot. Bonds3

About 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde

1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde (PubChem CID 620226) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde
PubChem CID620226
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C14H10N2OS/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h1-10H
InChIKeyHVDFEBGVPKLCCY-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
3-(1-Phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)acrylic acid
CID 876549
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529482
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
Morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2140148
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile
CID 1990367

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde (CID 620226) is 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde?
The InChIKey is HVDFEBGVPKLCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h1-10H.
What are the key properties of 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde?
1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde has a molecular weight of 254.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 620226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).