1-methyl-5-(4-methylthiophen-3-yl)pyrazole

C9H10N2S — CID 89104490

IUPAC1-methyl-5-(4-methylthiophen-3-yl)pyrazole
SMILESCc1cscc1-c1ccnn1C
InChIInChI=1S/C9H10N2S/c1-7-5-12-6-8(7)9-3-4-10-11(9)2/h3-6H,1-2H3
InChIKeyRVXYAUUGBAFSMG-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.46
Rot. Bonds1

About 1-methyl-5-(4-methylthiophen-3-yl)pyrazole

1-methyl-5-(4-methylthiophen-3-yl)pyrazole (PubChem CID 89104490) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-methyl-5-(4-methylthiophen-3-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(4-methylthiophen-3-yl)pyrazole
PubChem CID89104490
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name1-methyl-5-(4-methylthiophen-3-yl)pyrazole
SMILESCc1cscc1-c1ccnn1C
InChIInChI=1S/C9H10N2S/c1-7-5-12-6-8(7)9-3-4-10-11(9)2/h3-6H,1-2H3
InChIKeyRVXYAUUGBAFSMG-UHFFFAOYSA-N
XLogP2.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylthiophen-3-yl)pyrazole?
The IUPAC name of 1-methyl-5-(4-methylthiophen-3-yl)pyrazole (CID 89104490) is 1-methyl-5-(4-methylthiophen-3-yl)pyrazole.
What is the SMILES notation for 1-methyl-5-(4-methylthiophen-3-yl)pyrazole?
The canonical SMILES for 1-methyl-5-(4-methylthiophen-3-yl)pyrazole is Cc1cscc1-c1ccnn1C.
What is the InChIKey of 1-methyl-5-(4-methylthiophen-3-yl)pyrazole?
The InChIKey is RVXYAUUGBAFSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-7-5-12-6-8(7)9-3-4-10-11(9)2/h3-6H,1-2H3.
What are the key properties of 1-methyl-5-(4-methylthiophen-3-yl)pyrazole?
1-methyl-5-(4-methylthiophen-3-yl)pyrazole has a molecular weight of 178.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylthiophen-3-yl)pyrazole is sourced from PubChem (CID 89104490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).