1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole

C17H16N2 — CID 137458249

IUPAC1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole
SMILESCc1cccc(-c2cccc(-c3ccn(C)n3)c2)c1
InChIInChI=1S/C17H16N2/c1-13-5-3-6-14(11-13)15-7-4-8-16(12-15)17-9-10-19(2)18-17/h3-12H,1-2H3
InChIKeyZTLTXWLEEMXSTR-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.06
Rot. Bonds2

About 1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole

1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole (PubChem CID 137458249) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole
PubChem CID137458249
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole
SMILESCc1cccc(-c2cccc(-c3ccn(C)n3)c2)c1
InChIInChI=1S/C17H16N2/c1-13-5-3-6-14(11-13)15-7-4-8-16(12-15)17-9-10-19(2)18-17/h3-12H,1-2H3
InChIKeyZTLTXWLEEMXSTR-UHFFFAOYSA-N
XLogP4.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole 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

methyl 3-[3-(1-methylpyrazol-3-yl)phenyl]benzoate
CID 56858913
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
6-(3-methylphenyl)-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 151158667
3-(1-methylpyrazol-3-yl)benzaldehyde
CID 10511755
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
4-methyl-2-(1-methylpyrazol-3-yl)pyridine
CID 130225331
2,6-bis(3-methylphenyl)-4-[4-(3-phenylphenyl)phenyl]pyridine;2,6-bis(3-methylphenyl)-4-(4-phenylphenyl)pyridine;4-[4-(3,5-diphenylphenyl)phenyl]-2,6-bis(3-methylphenyl)pyridine
CID 157407374
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole?
The IUPAC name of 1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole (CID 137458249) is 1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole.
What is the SMILES notation for 1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole?
The canonical SMILES for 1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole is Cc1cccc(-c2cccc(-c3ccn(C)n3)c2)c1.
What is the InChIKey of 1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole?
The InChIKey is ZTLTXWLEEMXSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-5-3-6-14(11-13)15-7-4-8-16(12-15)17-9-10-19(2)18-17/h3-12H,1-2H3.
What are the key properties of 1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole?
1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole has a molecular weight of 248.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole is sourced from PubChem (CID 137458249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).