6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C15H14ClN3 — CID 779831

IUPAC6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc3nc(C)c(Cl)c(C)n3n2)cc1
InChIInChI=1S/C15H14ClN3/c1-9-4-6-12(7-5-9)13-8-14-17-10(2)15(16)11(3)19(14)18-13/h4-8H,1-3H3
InChIKeyZNYHBCRQCNEKPL-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.97
Rot. Bonds1

About 6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 779831) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID779831
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc3nc(C)c(Cl)c(C)n3n2)cc1
InChIInChI=1S/C15H14ClN3/c1-9-4-6-12(7-5-9)13-8-14-17-10(2)15(16)11(3)19(14)18-13/h4-8H,1-3H3
InChIKeyZNYHBCRQCNEKPL-UHFFFAOYSA-N
XLogP3.97
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 779831) is 6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2cc3nc(C)c(Cl)c(C)n3n2)cc1.
What is the InChIKey of 6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZNYHBCRQCNEKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-9-4-6-12(7-5-9)13-8-14-17-10(2)15(16)11(3)19(14)18-13/h4-8H,1-3H3.
What are the key properties of 6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 271.75 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 779831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).