5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole

C11H9F3N2 — CID 121379891

IUPAC5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESCc1[nH]ncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2/c1-7-10(6-15-16-7)8-2-4-9(5-3-8)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyKWKKJOFOMYZEPM-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.40
Rot. Bonds1

About 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole

5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole (PubChem CID 121379891) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole
PubChem CID121379891
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESCc1[nH]ncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2/c1-7-10(6-15-16-7)8-2-4-9(5-3-8)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyKWKKJOFOMYZEPM-UHFFFAOYSA-N
XLogP3.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole
CID 139474826
1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone
CID 39222026
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
5-methyl-4-phenyl-1H-pyrazole;phosphoric acid
CID 154878944
ethyl N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]carbamothioyl]carbamate
CID 162539884
(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 95839881
5-fluoro-4-(4-methylphenyl)-1H-pyrazole
CID 137387558
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
CID 42873937
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 86776389
5-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde
CID 2781846
6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091914
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole (CID 121379891) is 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole is Cc1[nH]ncc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The InChIKey is KWKKJOFOMYZEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c1-7-10(6-15-16-7)8-2-4-9(5-3-8)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole has a molecular weight of 226.20 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 121379891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).