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

C17H21N3 — CID 136841086

IUPAC2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1ccc(C2CCNc3cc(C4CCCC4)nn32)cc1
InChIInChI=1S/C17H21N3/c1-2-8-14(9-3-1)16-10-11-18-17-12-15(19-20(16)17)13-6-4-5-7-13/h1-3,8-9,12-13,16,18H,4-7,10-11H2
InChIKeyMTWQLALNWQDWSD-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.95
Rot. Bonds2

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

2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841086) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841086
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1ccc(C2CCNc3cc(C4CCCC4)nn32)cc1
InChIInChI=1S/C17H21N3/c1-2-8-14(9-3-1)16-10-11-18-17-12-15(19-20(16)17)13-6-4-5-7-13/h1-3,8-9,12-13,16,18H,4-7,10-11H2
InChIKeyMTWQLALNWQDWSD-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841086) is 2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is c1ccc(C2CCNc3cc(C4CCCC4)nn32)cc1.
What is the InChIKey of 2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is MTWQLALNWQDWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-8-14(9-3-1)16-10-11-18-17-12-15(19-20(16)17)13-6-4-5-7-13/h1-3,8-9,12-13,16,18H,4-7,10-11H2.
What are the key properties of 2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 267.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).