1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole

C12H11F3N2 — CID 14175137

IUPAC1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2nn(C)cc2C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2/c1-8-3-5-9(6-4-8)11-10(12(13,14)15)7-17(2)16-11/h3-7H,1-2H3
InChIKeyYIHRZWCKNTYRHC-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.41
Rot. Bonds1

About 1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole

1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole (PubChem CID 14175137) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole
PubChem CID14175137
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2nn(C)cc2C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2/c1-8-3-5-9(6-4-8)11-10(12(13,14)15)7-17(2)16-11/h3-7H,1-2H3
InChIKeyYIHRZWCKNTYRHC-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
1-Benzyl-1H-pyrazole
CID 3546441
1-(2-phenylethyl)-1H-pyrazole
CID 11126737
Fezolamine
CID 54567
3-Cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 3659088
3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894324
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole (CID 14175137) is 1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole is Cc1ccc(-c2nn(C)cc2C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole?
The InChIKey is YIHRZWCKNTYRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-8-3-5-9(6-4-8)11-10(12(13,14)15)7-17(2)16-11/h3-7H,1-2H3.
What are the key properties of 1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole?
1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole has a molecular weight of 240.23 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 14175137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).