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

Name: 4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₈N₂ — CID 142566344

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole
PubChem CID	142566344
Molecular Formula	C₁₄H₁₈N₂
Molecular Weight	214.31 g/mol
Exact Mass	214.15
IUPAC Name	4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole
SMILES	Cc1ccccc1-c1nn(C(C)C)cc1C
InChI	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
InChIKey	RQDAEQGIJFSFOW-UHFFFAOYSA-N
XLogP	3.75
TPSA	17.82 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.31
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 142566344 — identifiers, structure, computed properties (public domain)

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