4-chloro-1-thiophen-2-ylpyrazole

C7H5ClN2S — CID 91477161

IUPAC4-chloro-1-thiophen-2-ylpyrazole
SMILESClc1cnn(-c2cccs2)c1
InChIInChI=1S/C7H5ClN2S/c8-6-4-9-10(5-6)7-2-1-3-11-7/h1-5H
InChIKeyCTPSXLSBQJAFDT-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.59
Rot. Bonds1

About 4-chloro-1-thiophen-2-ylpyrazole

4-chloro-1-thiophen-2-ylpyrazole (PubChem CID 91477161) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 4-chloro-1-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name4-chloro-1-thiophen-2-ylpyrazole
PubChem CID91477161
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name4-chloro-1-thiophen-2-ylpyrazole
SMILESClc1cnn(-c2cccs2)c1
InChIInChI=1S/C7H5ClN2S/c8-6-4-9-10(5-6)7-2-1-3-11-7/h1-5H
InChIKeyCTPSXLSBQJAFDT-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
2-Bromo-5-(2-pyrazolyl)thiophene
CID 12554491
4-(Chloromethyl)-1-thiophen-2-ylpyrazole
CID 59759400
4-iodo-5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207269
5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207277
3-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207650
1-(3-Bromothiophen-2-yl)pyrazole
CID 68656065
2-(1H-pyrazol-1-yl)thiophen-3-amine
CID 68781723
1-(3-Methylthiophen-2-yl)pyrazole
CID 69827317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-thiophen-2-ylpyrazole?
The IUPAC name of 4-chloro-1-thiophen-2-ylpyrazole (CID 91477161) is 4-chloro-1-thiophen-2-ylpyrazole.
What is the SMILES notation for 4-chloro-1-thiophen-2-ylpyrazole?
The canonical SMILES for 4-chloro-1-thiophen-2-ylpyrazole is Clc1cnn(-c2cccs2)c1.
What is the InChIKey of 4-chloro-1-thiophen-2-ylpyrazole?
The InChIKey is CTPSXLSBQJAFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c8-6-4-9-10(5-6)7-2-1-3-11-7/h1-5H.
What are the key properties of 4-chloro-1-thiophen-2-ylpyrazole?
4-chloro-1-thiophen-2-ylpyrazole has a molecular weight of 184.65 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-thiophen-2-ylpyrazole is sourced from PubChem (CID 91477161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).