5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine

C11H14ClN3 — CID 22105865

IUPAC5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCCCCc1cc(Cl)n2nc(C)cc2n1
InChIInChI=1S/C11H14ClN3/c1-3-4-5-9-7-10(12)15-11(13-9)6-8(2)14-15/h6-7H,3-5H2,1-2H3
InChIKeySNNVALLFQFLPEP-UHFFFAOYSA-N
MW223.71 g/mol
LogP3.03
Rot. Bonds3

About 5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine

5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 22105865) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID22105865
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCCCCc1cc(Cl)n2nc(C)cc2n1
InChIInChI=1S/C11H14ClN3/c1-3-4-5-9-7-10(12)15-11(13-9)6-8(2)14-15/h6-7H,3-5H2,1-2H3
InChIKeySNNVALLFQFLPEP-UHFFFAOYSA-N
XLogP3.03
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-butyl-7-chloro-2-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 5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine (CID 22105865) is 5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine is CCCCc1cc(Cl)n2nc(C)cc2n1.
What is the InChIKey of 5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SNNVALLFQFLPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-3-4-5-9-7-10(12)15-11(13-9)6-8(2)14-15/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine?
5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 223.71 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-7-chloro-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 22105865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).