6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H15ClN4 — CID 1280151

IUPAC6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
InChIInChI=1S/C19H15ClN4/c1-12-2-4-14(5-3-12)17-10-18-22-11-16(19(21)24(18)23-17)13-6-8-15(20)9-7-13/h2-11H,21H2,1H3
InChIKeyOSHXUFOXNADOCS-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.61
Rot. Bonds2

About 6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1280151) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1280151
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC Name6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1
InChIInChI=1S/C19H15ClN4/c1-12-2-4-14(5-3-12)17-10-18-22-11-16(19(21)24(18)23-17)13-6-8-15(20)9-7-13/h2-11H,21H2,1H3
InChIKeyOSHXUFOXNADOCS-UHFFFAOYSA-N
XLogP4.61
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 1280151) is 6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OSHXUFOXNADOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4/c1-12-2-4-14(5-3-12)17-10-18-22-11-16(19(21)24(18)23-17)13-6-8-15(20)9-7-13/h2-11H,21H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 334.81 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1280151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).