1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole

C10H12N2S — CID 116856837

IUPAC1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole
SMILESCc1cc(-c2sccc2C)n(C)n1
InChIInChI=1S/C10H12N2S/c1-7-4-5-13-10(7)9-6-8(2)11-12(9)3/h4-6H,1-3H3
InChIKeyMOJUDBVIMIKSSD-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.77
Rot. Bonds1

About 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole

1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole (PubChem CID 116856837) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole
PubChem CID116856837
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole
SMILESCc1cc(-c2sccc2C)n(C)n1
InChIInChI=1S/C10H12N2S/c1-7-4-5-13-10(7)9-6-8(2)11-12(9)3/h4-6H,1-3H3
InChIKeyMOJUDBVIMIKSSD-UHFFFAOYSA-N
XLogP2.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole?
The IUPAC name of 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole (CID 116856837) is 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole.
What is the SMILES notation for 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole?
The canonical SMILES for 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole is Cc1cc(-c2sccc2C)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole?
The InChIKey is MOJUDBVIMIKSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7-4-5-13-10(7)9-6-8(2)11-12(9)3/h4-6H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole?
1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole has a molecular weight of 192.29 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole is sourced from PubChem (CID 116856837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).