1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole

C9H9ClN2S — CID 131204229

IUPAC1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole
SMILESCc1ccn(Cc2csc(Cl)c2)n1
InChIInChI=1S/C9H9ClN2S/c1-7-2-3-12(11-7)5-8-4-9(10)13-6-8/h2-4,6H,5H2,1H3
InChIKeyFCXISVDJVXVJBM-UHFFFAOYSA-N
MW212.71 g/mol
LogP2.95
Rot. Bonds2

About 1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole

1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole (PubChem CID 131204229) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole.

Molecular Properties

Compound Name1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole
PubChem CID131204229
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole
SMILESCc1ccn(Cc2csc(Cl)c2)n1
InChIInChI=1S/C9H9ClN2S/c1-7-2-3-12(11-7)5-8-4-9(10)13-6-8/h2-4,6H,5H2,1H3
InChIKeyFCXISVDJVXVJBM-UHFFFAOYSA-N
XLogP2.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole?
The IUPAC name of 1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole (CID 131204229) is 1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole.
What is the SMILES notation for 1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole?
The canonical SMILES for 1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole is Cc1ccn(Cc2csc(Cl)c2)n1.
What is the InChIKey of 1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole?
The InChIKey is FCXISVDJVXVJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c1-7-2-3-12(11-7)5-8-4-9(10)13-6-8/h2-4,6H,5H2,1H3.
What are the key properties of 1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole?
1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole has a molecular weight of 212.71 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-3-yl)methyl]-3-methylpyrazole is sourced from PubChem (CID 131204229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).