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

C8H4ClN3S — CID 83702751

IUPAC5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1-c1ccc(Cl)s1
InChIInChI=1S/C8H4ClN3S/c9-7-2-1-6(13-7)8-5(3-10)4-11-12-8/h1-2,4H,(H,11,12)
InChIKeyWZUWODNHUCHVDQ-UHFFFAOYSA-N
MW209.66 g/mol
LogP2.66
Rot. Bonds1

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

5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile (PubChem CID 83702751) has the molecular formula C8H4ClN3S and a molecular weight of 209.66 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile
PubChem CID83702751
Molecular FormulaC8H4ClN3S
Molecular Weight209.66 g/mol
Exact Mass208.98
IUPAC Name5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1-c1ccc(Cl)s1
InChIInChI=1S/C8H4ClN3S/c9-7-2-1-6(13-7)8-5(3-10)4-11-12-8/h1-2,4H,(H,11,12)
InChIKeyWZUWODNHUCHVDQ-UHFFFAOYSA-N
XLogP2.66
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.66
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
CID 67261439
(E)-3-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
CID 19973531
2-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile
CID 15296964
2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
CID 86657918
6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 62196141
5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile
CID 39096341
5-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 166321573
5-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile
CID 39096346
5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile
CID 164945787
5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile
CID 67841089
5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine
CID 62276882
4-chloro-1H-indazole-5-carbonitrile
CID 53399359

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile (CID 83702751) is 5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile is N#Cc1cn[nH]c1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile?
The InChIKey is WZUWODNHUCHVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3S/c9-7-2-1-6(13-7)8-5(3-10)4-11-12-8/h1-2,4H,(H,11,12).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile?
5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile has a molecular weight of 209.66 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 83702751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).