1-(3-fluoro-2-methylphenyl)-4-methylpyrazole

C11H11FN2 — CID 123244003

IUPAC1-(3-fluoro-2-methylphenyl)-4-methylpyrazole
SMILESCc1cnn(-c2cccc(F)c2C)c1
InChIInChI=1S/C11H11FN2/c1-8-6-13-14(7-8)11-5-3-4-10(12)9(11)2/h3-7H,1-2H3
InChIKeyZYQWDADCPRXFKE-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.63
Rot. Bonds1

About 1-(3-fluoro-2-methylphenyl)-4-methylpyrazole

1-(3-fluoro-2-methylphenyl)-4-methylpyrazole (PubChem CID 123244003) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-4-methylpyrazole
PubChem CID123244003
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name1-(3-fluoro-2-methylphenyl)-4-methylpyrazole
SMILESCc1cnn(-c2cccc(F)c2C)c1
InChIInChI=1S/C11H11FN2/c1-8-6-13-14(7-8)11-5-3-4-10(12)9(11)2/h3-7H,1-2H3
InChIKeyZYQWDADCPRXFKE-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-2-methylphenyl)-4-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-Pyrazol-1-yl)aniline
CID 594274
1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
1-Phenyl-3-propyl-pyrazole
CID 57320331
1-Phenylpyrazole
CID 70769
4-Bromo-1-phenyl-1H-pyrazole
CID 786811
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-benzyl-1H-pyrazol-4-amine
CID 206694
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-4-methylpyrazole?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-4-methylpyrazole (CID 123244003) is 1-(3-fluoro-2-methylphenyl)-4-methylpyrazole.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-4-methylpyrazole?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-4-methylpyrazole is Cc1cnn(-c2cccc(F)c2C)c1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-4-methylpyrazole?
The InChIKey is ZYQWDADCPRXFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-8-6-13-14(7-8)11-5-3-4-10(12)9(11)2/h3-7H,1-2H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-4-methylpyrazole?
1-(3-fluoro-2-methylphenyl)-4-methylpyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-4-methylpyrazole is sourced from PubChem (CID 123244003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).