4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole

C14H18N2 — CID 142566344

IUPAC4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole
SMILESCc1ccccc1-c1nn(C(C)C)cc1C
InChIInChI=1S/C14H18N2/c1-10(2)16-9-12(4)14(15-16)13-8-6-5-7-11(13)3/h5-10H,1-4H3
InChIKeyRQDAEQGIJFSFOW-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.75
Rot. Bonds2

About 4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole

4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole (PubChem CID 142566344) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole
PubChem CID142566344
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole
SMILESCc1ccccc1-c1nn(C(C)C)cc1C
InChIInChI=1S/C14H18N2/c1-10(2)16-9-12(4)14(15-16)13-8-6-5-7-11(13)3/h5-10H,1-4H3
InChIKeyRQDAEQGIJFSFOW-UHFFFAOYSA-N
XLogP3.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-phenyl-1-propan-2-ylpyrazole
CID 123403415
3-methyl-2-(4-methyl-1-propan-2-ylpyrazol-3-yl)pyridine
CID 142565987
3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane
CID 142566077
3,4-dimethyl-1-propan-2-ylpyrazole;ethane
CID 144607335
3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole
CID 142566335
3-bromo-4-methyl-1-propan-2-ylpyrazole
CID 130138856
3-(2-bromophenyl)-1-propan-2-ylpyrazole-4-carbaldehyde
CID 61266660
2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 107627200
4-(4-methylphenyl)-2-propan-2-ylindazole
CID 170974909
4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine
CID 62506943
4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride
CID 126967120
(2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide
CID 94865200

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole (CID 142566344) is 4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole is Cc1ccccc1-c1nn(C(C)C)cc1C.
What is the InChIKey of 4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole?
The InChIKey is RQDAEQGIJFSFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(2)16-9-12(4)14(15-16)13-8-6-5-7-11(13)3/h5-10H,1-4H3.
What are the key properties of 4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole?
4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole has a molecular weight of 214.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 142566344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).