2-(chloromethyl)pyrazolo[1,5-a]pyrimidine

C7H6ClN3 — CID 177037007

IUPAC2-(chloromethyl)pyrazolo[1,5-a]pyrimidine
SMILESClCc1cc2ncccn2n1
InChIInChI=1S/C7H6ClN3/c8-5-6-4-7-9-2-1-3-11(7)10-6/h1-4H,5H2
InChIKeyMZDGXCYPPFEUTI-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.47
Rot. Bonds1

About 2-(chloromethyl)pyrazolo[1,5-a]pyrimidine

2-(chloromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 177037007) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 2-(chloromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID177037007
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name2-(chloromethyl)pyrazolo[1,5-a]pyrimidine
SMILESClCc1cc2ncccn2n1
InChIInChI=1S/C7H6ClN3/c8-5-6-4-7-9-2-1-3-11(7)10-6/h1-4H,5H2
InChIKeyMZDGXCYPPFEUTI-UHFFFAOYSA-N
XLogP1.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)pyrazolo[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 2-(chloromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(chloromethyl)pyrazolo[1,5-a]pyrimidine (CID 177037007) is 2-(chloromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(chloromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(chloromethyl)pyrazolo[1,5-a]pyrimidine is ClCc1cc2ncccn2n1.
What is the InChIKey of 2-(chloromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MZDGXCYPPFEUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c8-5-6-4-7-9-2-1-3-11(7)10-6/h1-4H,5H2.
What are the key properties of 2-(chloromethyl)pyrazolo[1,5-a]pyrimidine?
2-(chloromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 167.60 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 177037007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).