1-(5-chlorothiophen-3-yl)pyrazole

C7H5ClN2S — CID 89311056

IUPAC1-(5-chlorothiophen-3-yl)pyrazole
SMILESClc1cc(-n2cccn2)cs1
InChIInChI=1S/C7H5ClN2S/c8-7-4-6(5-11-7)10-3-1-2-9-10/h1-5H
InChIKeyLJXGOONENKRQFK-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.59
Rot. Bonds1

About 1-(5-chlorothiophen-3-yl)pyrazole

1-(5-chlorothiophen-3-yl)pyrazole (PubChem CID 89311056) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)pyrazole.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)pyrazole
PubChem CID89311056
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name1-(5-chlorothiophen-3-yl)pyrazole
SMILESClc1cc(-n2cccn2)cs1
InChIInChI=1S/C7H5ClN2S/c8-7-4-6(5-11-7)10-3-1-2-9-10/h1-5H
InChIKeyLJXGOONENKRQFK-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

N-(3-thienyl)pyrazole
CID 11480538
4-Chloro-1-thiophen-2-ylpyrazole
CID 91477161
5-Iodo-1-(2-iodothiophen-3-yl)pyrazole
CID 53310186
1-(4-Methylthiophen-3-yl)pyrazole
CID 68587491
1-(5-Chlorothiophen-2-yl)-5-methylpyrazole
CID 123545274
3-Methyl-1-thiophen-3-ylpyrazole
CID 170026741
1-(2-Iodothiophen-3-yl)pyrazole
CID 53310193
4-Bromo-1-(3-thienyl)pyrazole
CID 66521246
4-Amino-1-(3-thienyl)pyrazole
CID 66521556
1-(3-Thienyl)-1H-pyrazole-4-boronic Acid
CID 66521621
2-Bromo-4-(1H-pyrazol-1-yl)thiophene
CID 130132012
2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine
CID 130637704

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)pyrazole?
The IUPAC name of 1-(5-chlorothiophen-3-yl)pyrazole (CID 89311056) is 1-(5-chlorothiophen-3-yl)pyrazole.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)pyrazole?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)pyrazole is Clc1cc(-n2cccn2)cs1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)pyrazole?
The InChIKey is LJXGOONENKRQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c8-7-4-6(5-11-7)10-3-1-2-9-10/h1-5H.
What are the key properties of 1-(5-chlorothiophen-3-yl)pyrazole?
1-(5-chlorothiophen-3-yl)pyrazole 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 1-(5-chlorothiophen-3-yl)pyrazole is sourced from PubChem (CID 89311056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).