7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C15H14ClN3S — CID 114514726

IUPAC7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCCC2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C15H14ClN3S/c16-14-8-11(10-4-1-2-5-10)17-15-9-12(18-19(14)15)13-6-3-7-20-13/h3,6-10H,1-2,4-5H2
InChIKeyWTEUKTUANZBRMB-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.77
Rot. Bonds2

About 7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 114514726) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID114514726
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCCC2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C15H14ClN3S/c16-14-8-11(10-4-1-2-5-10)17-15-9-12(18-19(14)15)13-6-3-7-20-13/h3,6-10H,1-2,4-5H2
InChIKeyWTEUKTUANZBRMB-UHFFFAOYSA-N
XLogP4.77
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 114514718
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997
7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 24865424
7-chloro-2-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269836
7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
CID 154969582
(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270412
(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine
CID 82270494
1-cyclopentyl-3-thiophen-2-ylpyrazol-5-amine
CID 61272800
7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269835
2-[(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)amino]ethylazanium
CID 7435463
2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol
CID 3230171
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 114514726) is 7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is Clc1cc(C2CCCC2)nc2cc(-c3cccs3)nn12.
What is the InChIKey of 7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WTEUKTUANZBRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c16-14-8-11(10-4-1-2-5-10)17-15-9-12(18-19(14)15)13-6-3-7-20-13/h3,6-10H,1-2,4-5H2.
What are the key properties of 7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 303.82 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 114514726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).