(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone

C15H12N2O2S — CID 2814854

IUPAC(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESCOc1cccc(C(=O)n2ccc(-c3cccs3)n2)c1
InChIInChI=1S/C15H12N2O2S/c1-19-12-5-2-4-11(10-12)15(18)17-8-7-13(16-17)14-6-3-9-20-14/h2-10H,1H3
InChIKeyALABAPCHJRVPCB-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.31
Rot. Bonds3

About (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone

(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone (PubChem CID 2814854) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
PubChem CID2814854
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESCOc1cccc(C(=O)n2ccc(-c3cccs3)n2)c1
InChIInChI=1S/C15H12N2O2S/c1-19-12-5-2-4-11(10-12)15(18)17-8-7-13(16-17)14-6-3-9-20-14/h2-10H,1H3
InChIKeyALABAPCHJRVPCB-UHFFFAOYSA-N
XLogP3.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone 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-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone (CID 2814854) is (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone is COc1cccc(C(=O)n2ccc(-c3cccs3)n2)c1.
What is the InChIKey of (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The InChIKey is ALABAPCHJRVPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-12-5-2-4-11(10-12)15(18)17-8-7-13(16-17)14-6-3-9-20-14/h2-10H,1H3.
What are the key properties of (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone has a molecular weight of 284.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone is sourced from PubChem (CID 2814854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).