3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine

C14H12ClN3 — CID 82274288

IUPAC3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2ncc(Cc3ccccc3)c2n1
InChIInChI=1S/C14H12ClN3/c1-10-7-13(15)18-14(17-10)12(9-16-18)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyASMKAEGYLBKFDR-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.28
Rot. Bonds2

About 3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine

3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274288) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID82274288
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2ncc(Cc3ccccc3)c2n1
InChIInChI=1S/C14H12ClN3/c1-10-7-13(15)18-14(17-10)12(9-16-18)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyASMKAEGYLBKFDR-UHFFFAOYSA-N
XLogP3.28
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-7-chloro-5-methylpyrazolo[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-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine (CID 82274288) is 3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2ncc(Cc3ccccc3)c2n1.
What is the InChIKey of 3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ASMKAEGYLBKFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-7-13(15)18-14(17-10)12(9-16-18)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3.
What are the key properties of 3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine?
3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 257.72 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).