3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H19BrN4 — CID 136841662

IUPAC3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESBrc1c(C2CCCC2)nn2c1NCC(c1ccncc1)C2
InChIInChI=1S/C16H19BrN4/c17-14-15(12-3-1-2-4-12)20-21-10-13(9-19-16(14)21)11-5-7-18-8-6-11/h5-8,12-13,19H,1-4,9-10H2
InChIKeyQATVZQYKTUMLCN-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.91
Rot. Bonds2

About 3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841662) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841662
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESBrc1c(C2CCCC2)nn2c1NCC(c1ccncc1)C2
InChIInChI=1S/C16H19BrN4/c17-14-15(12-3-1-2-4-12)20-21-10-13(9-19-16(14)21)11-5-7-18-8-6-11/h5-8,12-13,19H,1-4,9-10H2
InChIKeyQATVZQYKTUMLCN-UHFFFAOYSA-N
XLogP3.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841662) is 3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Brc1c(C2CCCC2)nn2c1NCC(c1ccncc1)C2.
What is the InChIKey of 3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is QATVZQYKTUMLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c17-14-15(12-3-1-2-4-12)20-21-10-13(9-19-16(14)21)11-5-7-18-8-6-11/h5-8,12-13,19H,1-4,9-10H2.
What are the key properties of 3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 347.26 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-cyclopentyl-6-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).