5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline

C15H14N4 — CID 56880397

IUPAC5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(-c3cnn4cccnc34)c1)CCNC2
InChIInChI=1S/C15H14N4/c1-3-11-9-16-7-5-12(11)13(4-1)14-10-18-19-8-2-6-17-15(14)19/h1-4,6,8,10,16H,5,7,9H2
InChIKeyHXPBSYRPZWXMPS-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.04
Rot. Bonds1

About 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline

5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 56880397) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID56880397
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(-c3cnn4cccnc34)c1)CCNC2
InChIInChI=1S/C15H14N4/c1-3-11-9-16-7-5-12(11)13(4-1)14-10-18-19-8-2-6-17-15(14)19/h1-4,6,8,10,16H,5,7,9H2
InChIKeyHXPBSYRPZWXMPS-UHFFFAOYSA-N
XLogP2.04
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline 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 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline (CID 56880397) is 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline is c1cc2c(c(-c3cnn4cccnc34)c1)CCNC2.
What is the InChIKey of 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HXPBSYRPZWXMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-3-11-9-16-7-5-12(11)13(4-1)14-10-18-19-8-2-6-17-15(14)19/h1-4,6,8,10,16H,5,7,9H2.
What are the key properties of 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline?
5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 250.31 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 56880397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).