5-(3,4-dimethylphenyl)-1H-pyrazole

C11H12N2 — CID 61395014

IUPAC5-(3,4-dimethylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2ccn[nH]2)cc1C
InChIInChI=1S/C11H12N2/c1-8-3-4-10(7-9(8)2)11-5-6-12-13-11/h3-7H,1-2H3,(H,12,13)
InChIKeyKAEURCIFOCLJFS-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.69
Rot. Bonds1

About 5-(3,4-dimethylphenyl)-1H-pyrazole

5-(3,4-dimethylphenyl)-1H-pyrazole (PubChem CID 61395014) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1H-pyrazole
PubChem CID61395014
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name5-(3,4-dimethylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2ccn[nH]2)cc1C
InChIInChI=1S/C11H12N2/c1-8-3-4-10(7-9(8)2)11-5-6-12-13-11/h3-7H,1-2H3,(H,12,13)
InChIKeyKAEURCIFOCLJFS-UHFFFAOYSA-N
XLogP2.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(3,4-dimethylphenyl)-1H-pyrazole 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 5-(3,4-dimethylphenyl)-1H-pyrazole?
The IUPAC name of 5-(3,4-dimethylphenyl)-1H-pyrazole (CID 61395014) is 5-(3,4-dimethylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1H-pyrazole is Cc1ccc(-c2ccn[nH]2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1H-pyrazole?
The InChIKey is KAEURCIFOCLJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-3-4-10(7-9(8)2)11-5-6-12-13-11/h3-7H,1-2H3,(H,12,13).
What are the key properties of 5-(3,4-dimethylphenyl)-1H-pyrazole?
5-(3,4-dimethylphenyl)-1H-pyrazole has a molecular weight of 172.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-1H-pyrazole is sourced from PubChem (CID 61395014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).