(3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone

C11H12N2OS — CID 17337753

IUPAC(3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(C)s2)n1
InChIInChI=1S/C11H12N2OS/c1-7-6-8(2)13(12-7)11(14)10-5-4-9(3)15-10/h4-6H,1-3H3
InChIKeyABNGRYCVYCPXNA-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.56
Rot. Bonds1

About (3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone

(3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 17337753) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID17337753
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(C)s2)n1
InChIInChI=1S/C11H12N2OS/c1-7-6-8(2)13(12-7)11(14)10-5-4-9(3)15-10/h4-6H,1-3H3
InChIKeyABNGRYCVYCPXNA-UHFFFAOYSA-N
XLogP2.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone (CID 17337753) is (3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone is Cc1cc(C)n(C(=O)c2ccc(C)s2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is ABNGRYCVYCPXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-6-8(2)13(12-7)11(14)10-5-4-9(3)15-10/h4-6H,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone?
(3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 220.30 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 17337753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).