2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C24H29N3 — CID 134806170

IUPAC2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1-c1ccccc1)N(CCC(C)C)CCC2
InChIInChI=1S/C24H29N3/c1-18(2)14-17-26-15-9-16-27-24(26)23(19(3)25-27)22-13-8-7-12-21(22)20-10-5-4-6-11-20/h4-8,10-13,18H,9,14-17H2,1-3H3
InChIKeyRWHBDYJMIGTBNO-UHFFFAOYSA-N
MW359.52 g/mol
LogP5.78
Rot. Bonds5

About 2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134806170) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134806170
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC Name2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1-c1ccccc1)N(CCC(C)C)CCC2
InChIInChI=1S/C24H29N3/c1-18(2)14-17-26-15-9-16-27-24(26)23(19(3)25-27)22-13-8-7-12-21(22)20-10-5-4-6-11-20/h4-8,10-13,18H,9,14-17H2,1-3H3
InChIKeyRWHBDYJMIGTBNO-UHFFFAOYSA-N
XLogP5.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134806170) is 2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1-c1ccccc1)N(CCC(C)C)CCC2.
What is the InChIKey of 2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is RWHBDYJMIGTBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3/c1-18(2)14-17-26-15-9-16-27-24(26)23(19(3)25-27)22-13-8-7-12-21(22)20-10-5-4-6-11-20/h4-8,10-13,18H,9,14-17H2,1-3H3.
What are the key properties of 2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 359.52 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134806170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).