(3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone

C14H10N2OS — CID 135064283

IUPAC(3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)c1cccs1
InChIInChI=1S/C14H10N2OS/c17-14(13-7-4-8-18-13)12-9-11(15-16-12)10-5-2-1-3-6-10/h1-9H,(H,15,16)
InChIKeyNECPPFIGQHQGRF-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.37
Rot. Bonds3

About (3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone

(3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone (PubChem CID 135064283) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone
PubChem CID135064283
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)c1cccs1
InChIInChI=1S/C14H10N2OS/c17-14(13-7-4-8-18-13)12-9-11(15-16-12)10-5-2-1-3-6-10/h1-9H,(H,15,16)
InChIKeyNECPPFIGQHQGRF-UHFFFAOYSA-N
XLogP3.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone (CID 135064283) is (3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone is O=C(c1cc(-c2ccccc2)n[nH]1)c1cccs1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone?
The InChIKey is NECPPFIGQHQGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-14(13-7-4-8-18-13)12-9-11(15-16-12)10-5-2-1-3-6-10/h1-9H,(H,15,16).
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone?
(3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone has a molecular weight of 254.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 135064283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).