(4-methylthiophen-3-yl)-pyrazol-1-ylmethanone

C9H8N2OS — CID 138811046

IUPAC(4-methylthiophen-3-yl)-pyrazol-1-ylmethanone
SMILESCc1cscc1C(=O)n1cccn1
InChIInChI=1S/C9H8N2OS/c1-7-5-13-6-8(7)9(12)11-4-2-3-10-11/h2-6H,1H3
InChIKeyHFWICNFIJXYPSN-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.94
Rot. Bonds1

About (4-methylthiophen-3-yl)-pyrazol-1-ylmethanone

(4-methylthiophen-3-yl)-pyrazol-1-ylmethanone (PubChem CID 138811046) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-pyrazol-1-ylmethanone
PubChem CID138811046
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name(4-methylthiophen-3-yl)-pyrazol-1-ylmethanone
SMILESCc1cscc1C(=O)n1cccn1
InChIInChI=1S/C9H8N2OS/c1-7-5-13-6-8(7)9(12)11-4-2-3-10-11/h2-6H,1H3
InChIKeyHFWICNFIJXYPSN-UHFFFAOYSA-N
XLogP1.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (4-methylthiophen-3-yl)-pyrazol-1-ylmethanone (CID 138811046) is (4-methylthiophen-3-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (4-methylthiophen-3-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (4-methylthiophen-3-yl)-pyrazol-1-ylmethanone is Cc1cscc1C(=O)n1cccn1.
What is the InChIKey of (4-methylthiophen-3-yl)-pyrazol-1-ylmethanone?
The InChIKey is HFWICNFIJXYPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-7-5-13-6-8(7)9(12)11-4-2-3-10-11/h2-6H,1H3.
What are the key properties of (4-methylthiophen-3-yl)-pyrazol-1-ylmethanone?
(4-methylthiophen-3-yl)-pyrazol-1-ylmethanone has a molecular weight of 192.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 138811046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).