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

C15H19N3 — CID 136839211

IUPAC5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1-c1cc2n(n1)C(C)CC(C)N2
InChIInChI=1S/C15H19N3/c1-10-6-4-5-7-13(10)14-9-15-16-11(2)8-12(3)18(15)17-14/h4-7,9,11-12,16H,8H2,1-3H3
InChIKeyPBGBCXSWOYUHIO-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.62
Rot. Bonds1

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

5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136839211) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136839211
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1-c1cc2n(n1)C(C)CC(C)N2
InChIInChI=1S/C15H19N3/c1-10-6-4-5-7-13(10)14-9-15-16-11(2)8-12(3)18(15)17-14/h4-7,9,11-12,16H,8H2,1-3H3
InChIKeyPBGBCXSWOYUHIO-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136839211) is 5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1ccccc1-c1cc2n(n1)C(C)CC(C)N2.
What is the InChIKey of 5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is PBGBCXSWOYUHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-6-4-5-7-13(10)14-9-15-16-11(2)8-12(3)18(15)17-14/h4-7,9,11-12,16H,8H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 241.34 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).