2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C23H24N4 — CID 4900527

IUPAC2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2c(C)nn3c(NCCc4ccccc4)cc(C)nc23)cc1
InChIInChI=1S/C23H24N4/c1-16-9-11-20(12-10-16)22-18(3)26-27-21(15-17(2)25-23(22)27)24-14-13-19-7-5-4-6-8-19/h4-12,15,24H,13-14H2,1-3H3
InChIKeySKYYVIAKGNSFKA-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.98
Rot. Bonds5

About 2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4900527) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4900527
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2c(C)nn3c(NCCc4ccccc4)cc(C)nc23)cc1
InChIInChI=1S/C23H24N4/c1-16-9-11-20(12-10-16)22-18(3)26-27-21(15-17(2)25-23(22)27)24-14-13-19-7-5-4-6-8-19/h4-12,15,24H,13-14H2,1-3H3
InChIKeySKYYVIAKGNSFKA-UHFFFAOYSA-N
XLogP4.98
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 4900527) is 2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(-c2c(C)nn3c(NCCc4ccccc4)cc(C)nc23)cc1.
What is the InChIKey of 2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SKYYVIAKGNSFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-16-9-11-20(12-10-16)22-18(3)26-27-21(15-17(2)25-23(22)27)24-14-13-19-7-5-4-6-8-19/h4-12,15,24H,13-14H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 356.47 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4900527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).