2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H19N3S — CID 136841108

IUPAC2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1csc(C2CCNc3cc(C4CCCC4)nn32)c1
InChIInChI=1S/C15H19N3S/c1-2-5-11(4-1)12-10-15-16-8-7-13(18(15)17-12)14-6-3-9-19-14/h3,6,9-11,13,16H,1-2,4-5,7-8H2
InChIKeyYUHTUBMABGOHPZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.01
Rot. Bonds2

About 2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841108) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841108
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1csc(C2CCNc3cc(C4CCCC4)nn32)c1
InChIInChI=1S/C15H19N3S/c1-2-5-11(4-1)12-10-15-16-8-7-13(18(15)17-12)14-6-3-9-19-14/h3,6,9-11,13,16H,1-2,4-5,7-8H2
InChIKeyYUHTUBMABGOHPZ-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841108) is 2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is c1csc(C2CCNc3cc(C4CCCC4)nn32)c1.
What is the InChIKey of 2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YUHTUBMABGOHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-5-11(4-1)12-10-15-16-8-7-13(18(15)17-12)14-6-3-9-19-14/h3,6,9-11,13,16H,1-2,4-5,7-8H2.
What are the key properties of 2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 273.40 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).