3-methyl-5-(2-methylphenyl)-1-phenylpyrazole

C17H16N2 — CID 11160983

IUPAC3-methyl-5-(2-methylphenyl)-1-phenylpyrazole
SMILESCc1cc(-c2ccccc2C)n(-c2ccccc2)n1
InChIInChI=1S/C17H16N2/c1-13-8-6-7-11-16(13)17-12-14(2)18-19(17)15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKeyGKSVCXUNQYGAMS-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.16
Rot. Bonds2

About 3-methyl-5-(2-methylphenyl)-1-phenylpyrazole

3-methyl-5-(2-methylphenyl)-1-phenylpyrazole (PubChem CID 11160983) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-5-(2-methylphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylphenyl)-1-phenylpyrazole
PubChem CID11160983
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name3-methyl-5-(2-methylphenyl)-1-phenylpyrazole
SMILESCc1cc(-c2ccccc2C)n(-c2ccccc2)n1
InChIInChI=1S/C17H16N2/c1-13-8-6-7-11-16(13)17-12-14(2)18-19(17)15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKeyGKSVCXUNQYGAMS-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Difenzoquat
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3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
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1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Dimethylphenylpyrazole
CID 70800
Sant-1
CID 6878030
4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 57401854
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
2-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
CID 2804987
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylphenyl)-1-phenylpyrazole?
The IUPAC name of 3-methyl-5-(2-methylphenyl)-1-phenylpyrazole (CID 11160983) is 3-methyl-5-(2-methylphenyl)-1-phenylpyrazole.
What is the SMILES notation for 3-methyl-5-(2-methylphenyl)-1-phenylpyrazole?
The canonical SMILES for 3-methyl-5-(2-methylphenyl)-1-phenylpyrazole is Cc1cc(-c2ccccc2C)n(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-5-(2-methylphenyl)-1-phenylpyrazole?
The InChIKey is GKSVCXUNQYGAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-8-6-7-11-16(13)17-12-14(2)18-19(17)15-9-4-3-5-10-15/h3-12H,1-2H3.
What are the key properties of 3-methyl-5-(2-methylphenyl)-1-phenylpyrazole?
3-methyl-5-(2-methylphenyl)-1-phenylpyrazole has a molecular weight of 248.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylphenyl)-1-phenylpyrazole is sourced from PubChem (CID 11160983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).