4-methyl-5-(3-methylphenyl)-1H-pyrazole

C11H12N2 — CID 54111991

IUPAC4-methyl-5-(3-methylphenyl)-1H-pyrazole
SMILESCc1cccc(-c2[nH]ncc2C)c1
InChIInChI=1S/C11H12N2/c1-8-4-3-5-10(6-8)11-9(2)7-12-13-11/h3-7H,1-2H3,(H,12,13)
InChIKeyNHTISOFOJMIJMA-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.69
Rot. Bonds1

About 4-methyl-5-(3-methylphenyl)-1H-pyrazole

4-methyl-5-(3-methylphenyl)-1H-pyrazole (PubChem CID 54111991) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-methyl-5-(3-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-methyl-5-(3-methylphenyl)-1H-pyrazole
PubChem CID54111991
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-methyl-5-(3-methylphenyl)-1H-pyrazole
SMILESCc1cccc(-c2[nH]ncc2C)c1
InChIInChI=1S/C11H12N2/c1-8-4-3-5-10(6-8)11-9(2)7-12-13-11/h3-7H,1-2H3,(H,12,13)
InChIKeyNHTISOFOJMIJMA-UHFFFAOYSA-N
XLogP2.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine
CID 105469052
5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one
CID 117127405
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
2-[methyl-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]amino]propanoic acid
CID 122036968
7-chloro-5-(3-methylphenyl)-1H-indazole
CID 171662467
1,3-diethyl-5-[5-(3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
CID 22063925
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline
CID 90817428
ethene;1-methyl-3-phenylbenzene
CID 142622149
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
(1R,5R,6R)-N,7,7-trimethyl-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 124857135
(2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276265

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylphenyl)-1H-pyrazole?
The IUPAC name of 4-methyl-5-(3-methylphenyl)-1H-pyrazole (CID 54111991) is 4-methyl-5-(3-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-methyl-5-(3-methylphenyl)-1H-pyrazole?
The canonical SMILES for 4-methyl-5-(3-methylphenyl)-1H-pyrazole is Cc1cccc(-c2[nH]ncc2C)c1.
What is the InChIKey of 4-methyl-5-(3-methylphenyl)-1H-pyrazole?
The InChIKey is NHTISOFOJMIJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-4-3-5-10(6-8)11-9(2)7-12-13-11/h3-7H,1-2H3,(H,12,13).
What are the key properties of 4-methyl-5-(3-methylphenyl)-1H-pyrazole?
4-methyl-5-(3-methylphenyl)-1H-pyrazole has a molecular weight of 172.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 54111991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).