5-methyl-1-(4-methylphenyl)pyrazole

C11H12N2 — CID 53302146

IUPAC5-methyl-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2nccc2C)cc1
InChIInChI=1S/C11H12N2/c1-9-3-5-11(6-4-9)13-10(2)7-8-12-13/h3-8H,1-2H3
InChIKeyMLWAWLUISSQJJO-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.49
Rot. Bonds1

About 5-methyl-1-(4-methylphenyl)pyrazole

5-methyl-1-(4-methylphenyl)pyrazole (PubChem CID 53302146) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)pyrazole
PubChem CID53302146
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name5-methyl-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2nccc2C)cc1
InChIInChI=1S/C11H12N2/c1-9-3-5-11(6-4-9)13-10(2)7-8-12-13/h3-8H,1-2H3
InChIKeyMLWAWLUISSQJJO-UHFFFAOYSA-N
XLogP2.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-methylpyrazol-1-yl)benzaldehyde
CID 105442092
[4-(5-methylpyrazol-1-yl)phenyl]boronic acid
CID 164783046
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
5-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 174605687
2-[4-(5-methylpyrazol-1-yl)phenyl]ethanol
CID 117290924
2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile
CID 117287094
N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine
CID 117291725
2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine
CID 117307089
4-[5-(4-methylphenyl)pyrazol-1-yl]aniline
CID 142934716
[2-(4-methylphenyl)pyrazol-3-yl]oxyboronic acid
CID 142770990
3-(5-methylpyrazol-1-yl)aniline
CID 43154912
2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide
CID 166432157

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)pyrazole?
The IUPAC name of 5-methyl-1-(4-methylphenyl)pyrazole (CID 53302146) is 5-methyl-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)pyrazole?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)pyrazole is Cc1ccc(-n2nccc2C)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)pyrazole?
The InChIKey is MLWAWLUISSQJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-9-3-5-11(6-4-9)13-10(2)7-8-12-13/h3-8H,1-2H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)pyrazole?
5-methyl-1-(4-methylphenyl)pyrazole has a molecular weight of 172.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 53302146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).