2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H21N3 — CID 136837982

IUPAC2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(c1C)NCCC2c1cccc(C)c1
InChIInChI=1S/C16H21N3/c1-4-14-12(3)16-17-9-8-15(19(16)18-14)13-7-5-6-11(2)10-13/h5-7,10,15,17H,4,8-9H2,1-3H3
InChIKeyRYXKXDYJDZAFHI-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.47
Rot. Bonds2

About 2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837982) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837982
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(c1C)NCCC2c1cccc(C)c1
InChIInChI=1S/C16H21N3/c1-4-14-12(3)16-17-9-8-15(19(16)18-14)13-7-5-6-11(2)10-13/h5-7,10,15,17H,4,8-9H2,1-3H3
InChIKeyRYXKXDYJDZAFHI-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[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

Related Compounds

7-(3,4-dimethylphenyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837978
6-(3-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841536
7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137011955
2-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709256
7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838321
7-(4-ethylphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838108
7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840246
2-(2,2-dimethylpropyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841052
N-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 137012196
2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841096
3-(11-methyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-6-yl)aniline
CID 136840867
7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838903

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837982) is 2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1nn2c(c1C)NCCC2c1cccc(C)c1.
What is the InChIKey of 2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is RYXKXDYJDZAFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-14-12(3)16-17-9-8-15(19(16)18-14)13-7-5-6-11(2)10-13/h5-7,10,15,17H,4,8-9H2,1-3H3.
What are the key properties of 2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 255.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).