(3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone

C14H12N2OS — CID 3078482

IUPAC(3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=CCC1c1ccccc1
InChIInChI=1S/C14H12N2OS/c17-14(13-7-4-10-18-13)16-12(8-9-15-16)11-5-2-1-3-6-11/h1-7,9-10,12H,8H2
InChIKeyXHFCWCMBADMELI-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.32
Rot. Bonds2

About (3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone

(3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone (PubChem CID 3078482) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is (3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
PubChem CID3078482
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name(3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=CCC1c1ccccc1
InChIInChI=1S/C14H12N2OS/c17-14(13-7-4-10-18-13)16-12(8-9-15-16)11-5-2-1-3-6-11/h1-7,9-10,12H,8H2
InChIKeyXHFCWCMBADMELI-UHFFFAOYSA-N
XLogP3.32
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone (CID 3078482) is (3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1N=CCC1c1ccccc1.
What is the InChIKey of (3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The InChIKey is XHFCWCMBADMELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-14(13-7-4-10-18-13)16-12(8-9-15-16)11-5-2-1-3-6-11/h1-7,9-10,12H,8H2.
What are the key properties of (3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
(3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone has a molecular weight of 256.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 3078482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).