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

C16H21N3 — CID 136837494

IUPAC3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c1NCCC2c1ccc(C(C)C)cc1
InChIInChI=1S/C16H21N3/c1-11(2)13-4-6-14(7-5-13)15-8-9-17-16-12(3)10-18-19(15)16/h4-7,10-11,15,17H,8-9H2,1-3H3
InChIKeyHMINXEMQHKTHAR-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.72
Rot. Bonds2

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

3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837494) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837494
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c1NCCC2c1ccc(C(C)C)cc1
InChIInChI=1S/C16H21N3/c1-11(2)13-4-6-14(7-5-13)15-8-9-17-16-12(3)10-18-19(15)16/h4-7,10-11,15,17H,8-9H2,1-3H3
InChIKeyHMINXEMQHKTHAR-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-7-(4-propan-2-ylphenyl)-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-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837532
7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 136775699
3-bromo-7-(2,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840983
7-(3,5-dimethylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841233
7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841180
ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 170734184
7-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 136775856
(5R,7R)-7-(4-methylphenyl)-5-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136785450
3,5-dimethyl-9-(4-methylphenyl)-4,5,7,8,12-pentazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene
CID 136841330
7-(4-ethylphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838108
3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841205
7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840948

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837494) is 3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1cnn2c1NCCC2c1ccc(C(C)C)cc1.
What is the InChIKey of 3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HMINXEMQHKTHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)13-4-6-14(7-5-13)15-8-9-17-16-12(3)10-18-19(15)16/h4-7,10-11,15,17H,8-9H2,1-3H3.
What are the key properties of 3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 255.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).