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

C14H12ClN3 — CID 1489141

IUPAC3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2ccnc3c(Cl)c(C)nn23)cc1
InChIInChI=1S/C14H12ClN3/c1-9-3-5-11(6-4-9)12-7-8-16-14-13(15)10(2)17-18(12)14/h3-8H,1-2H3
InChIKeyATIVYVVBJOKIQF-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.67
Rot. Bonds1

About 3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1489141) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1489141
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2ccnc3c(Cl)c(C)nn23)cc1
InChIInChI=1S/C14H12ClN3/c1-9-3-5-11(6-4-9)12-7-8-16-14-13(15)10(2)17-18(12)14/h3-8H,1-2H3
InChIKeyATIVYVVBJOKIQF-UHFFFAOYSA-N
XLogP3.67
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 1489141) is 3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2ccnc3c(Cl)c(C)nn23)cc1.
What is the InChIKey of 3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ATIVYVVBJOKIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-3-5-11(6-4-9)12-7-8-16-14-13(15)10(2)17-18(12)14/h3-8H,1-2H3.
What are the key properties of 3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 257.72 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1489141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).