5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile

C12H11ClN4S — CID 113390701

IUPAC5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C2CCCC2)nn(-c2nccs2)c1Cl
InChIInChI=1S/C12H11ClN4S/c13-11-9(7-14)10(8-3-1-2-4-8)16-17(11)12-15-5-6-18-12/h5-6,8H,1-4H2
InChIKeyQPIFREXOKDCLLR-UHFFFAOYSA-N
MW278.77 g/mol
LogP3.51
Rot. Bonds2

About 5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile

5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile (PubChem CID 113390701) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
PubChem CID113390701
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C2CCCC2)nn(-c2nccs2)c1Cl
InChIInChI=1S/C12H11ClN4S/c13-11-9(7-14)10(8-3-1-2-4-8)16-17(11)12-15-5-6-18-12/h5-6,8H,1-4H2
InChIKeyQPIFREXOKDCLLR-UHFFFAOYSA-N
XLogP3.51
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-cyclobutyl-1-methylpyrazole-4-carbonitrile
CID 82657508
5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile
CID 63787735
5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 63788275
5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 102796819
4-chloro-6-cyclopentylpyrimidine-5-carbonitrile
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5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile
CID 114798809
2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82271954
4-chloro-2-cyclopropylpyridine-3-carbonitrile
CID 151414455
5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 102809221
4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide
CID 116647294
5-cyclobutyl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220913
5-cyclohexyl-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
CID 82220736

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile (CID 113390701) is 5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile is N#Cc1c(C2CCCC2)nn(-c2nccs2)c1Cl.
What is the InChIKey of 5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The InChIKey is QPIFREXOKDCLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c13-11-9(7-14)10(8-3-1-2-4-8)16-17(11)12-15-5-6-18-12/h5-6,8H,1-4H2.
What are the key properties of 5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile has a molecular weight of 278.77 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 113390701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).