5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

C11H11F3N2 — CID 142916061

IUPAC5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESCC1=NN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H11F3N2/c1-8-5-6-16(15-8)10-4-2-3-9(7-10)11(12,13)14/h2-4,7H,5-6H2,1H3
InChIKeyIDETWABNPVULQW-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.29
Rot. Bonds1

About 5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (PubChem CID 142916061) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
PubChem CID142916061
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESCC1=NN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H11F3N2/c1-8-5-6-16(15-8)10-4-2-3-9(7-10)11(12,13)14/h2-4,7H,5-6H2,1H3
InChIKeyIDETWABNPVULQW-UHFFFAOYSA-N
XLogP3.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide
CID 70516275
N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide
CID 2843464
1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine
CID 748143
carbon dioxide;5-methyl-2-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
CID 158507762
5-methyl-2-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one;5-methyl-2-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
CID 162161997
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
2-(4,6-dimethyl-2-pyridinyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanethione
CID 159352472
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
(3aR,7aR)-5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 695187
6-bromo-1,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrazin-3-one
CID 141194608
2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
CID 171334508
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The IUPAC name of 5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (CID 142916061) is 5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The canonical SMILES for 5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is CC1=NN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The InChIKey is IDETWABNPVULQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-8-5-6-16(15-8)10-4-2-3-9(7-10)11(12,13)14/h2-4,7H,5-6H2,1H3.
What are the key properties of 5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole has a molecular weight of 228.22 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 142916061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).