4-(5-chlorothiophen-2-yl)-1H-pyrazole

C7H5ClN2S — CID 901421

IUPAC4-(5-chlorothiophen-2-yl)-1H-pyrazole
SMILESClc1ccc(-c2cn[nH]c2)s1
InChIInChI=1S/C7H5ClN2S/c8-7-2-1-6(11-7)5-3-9-10-4-5/h1-4H,(H,9,10)
InChIKeyFSGXXIOYDLGFFB-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.79
Rot. Bonds1

About 4-(5-chlorothiophen-2-yl)-1H-pyrazole

4-(5-chlorothiophen-2-yl)-1H-pyrazole (PubChem CID 901421) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-1H-pyrazole
PubChem CID901421
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name4-(5-chlorothiophen-2-yl)-1H-pyrazole
SMILESClc1ccc(-c2cn[nH]c2)s1
InChIInChI=1S/C7H5ClN2S/c8-7-2-1-6(11-7)5-3-9-10-4-5/h1-4H,(H,9,10)
InChIKeyFSGXXIOYDLGFFB-UHFFFAOYSA-N
XLogP2.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-chlorothiophen-2-yl)-1H-pyrazole 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 4-(5-chlorothiophen-2-yl)-1H-pyrazole?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-1H-pyrazole (CID 901421) is 4-(5-chlorothiophen-2-yl)-1H-pyrazole.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-1H-pyrazole?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-1H-pyrazole is Clc1ccc(-c2cn[nH]c2)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-1H-pyrazole?
The InChIKey is FSGXXIOYDLGFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c8-7-2-1-6(11-7)5-3-9-10-4-5/h1-4H,(H,9,10).
What are the key properties of 4-(5-chlorothiophen-2-yl)-1H-pyrazole?
4-(5-chlorothiophen-2-yl)-1H-pyrazole has a molecular weight of 184.65 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-1H-pyrazole is sourced from PubChem (CID 901421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).