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

C13H15N3 — CID 136840961

IUPAC7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1C1CCNc2ccnn21
InChIInChI=1S/C13H15N3/c1-10-4-2-3-5-11(10)12-6-8-14-13-7-9-15-16(12)13/h2-5,7,9,12,14H,6,8H2,1H3
InChIKeyDJSJBKROBWPKHR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.60
Rot. Bonds1

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

7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136840961) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136840961
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1C1CCNc2ccnn21
InChIInChI=1S/C13H15N3/c1-10-4-2-3-5-11(10)12-6-8-14-13-7-9-15-16(12)13/h2-5,7,9,12,14H,6,8H2,1H3
InChIKeyDJSJBKROBWPKHR-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(2-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-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838497
7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840908
4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136840782
7-naphthalen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840971
7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840948
2-cyclobutyl-7-(2-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840548
7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840975
5-(2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 138504557
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838897
6-(2-methylphenyl)-1,3-oxazinan-2-one
CID 69323043
7-(2,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838142

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136840961) is 7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1ccccc1C1CCNc2ccnn21.
What is the InChIKey of 7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is DJSJBKROBWPKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-4-2-3-5-11(10)12-6-8-14-13-7-9-15-16(12)13/h2-5,7,9,12,14H,6,8H2,1H3.
What are the key properties of 7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 213.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).