1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole

C12H11F3N2 — CID 12008483

IUPAC1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole
SMILESCc1nn(C)c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C12H11F3N2/c1-8-10(9-6-4-3-5-7-9)11(12(13,14)15)17(2)16-8/h3-7H,1-2H3
InChIKeyPSUNIQGPGGGYIP-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.41
Rot. Bonds1

About 1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole

1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole (PubChem CID 12008483) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole
PubChem CID12008483
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole
SMILESCc1nn(C)c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C12H11F3N2/c1-8-10(9-6-4-3-5-7-9)11(12(13,14)15)17(2)16-8/h3-7H,1-2H3
InChIKeyPSUNIQGPGGGYIP-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

Analyze 1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole 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

AS-19
CID 23642275
Difenzoquat
CID 39425
3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
1,3-Dimethyl-4-phenyl-1H-pyrazol-5-amine
CID 1502824
E-55888
CID 24825775
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281
2-Isopropyl-3-(4-trifluoromethyl-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11393128
3-(4-fluorophenyl)-5-methyl-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44383830
(1S,3R)-N-((5-(3,5-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45273537

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole (CID 12008483) is 1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole is Cc1nn(C)c(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole?
The InChIKey is PSUNIQGPGGGYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-8-10(9-6-4-3-5-7-9)11(12(13,14)15)17(2)16-8/h3-7H,1-2H3.
What are the key properties of 1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole?
1,3-dimethyl-4-phenyl-5-(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 1,3-dimethyl-4-phenyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 12008483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).