1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

C15H14N2OS — CID 3828937

IUPAC1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1c1cccs1
InChIInChI=1S/C15H14N2OS/c1-11(18)17-14(15-8-5-9-19-15)10-13(16-17)12-6-3-2-4-7-12/h2-9,14H,10H2,1H3
InChIKeyJXXNJWVHOQNTHA-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.45
Rot. Bonds2

About 1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 3828937) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID3828937
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1c1cccs1
InChIInChI=1S/C15H14N2OS/c1-11(18)17-14(15-8-5-9-19-15)10-13(16-17)12-6-3-2-4-7-12/h2-9,14H,10H2,1H3
InChIKeyJXXNJWVHOQNTHA-UHFFFAOYSA-N
XLogP3.45
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone (CID 3828937) is 1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone is CC(=O)N1N=C(c2ccccc2)CC1c1cccs1.
What is the InChIKey of 1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is JXXNJWVHOQNTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11(18)17-14(15-8-5-9-19-15)10-13(16-17)12-6-3-2-4-7-12/h2-9,14H,10H2,1H3.
What are the key properties of 1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 270.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 3828937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).