1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole

C13H19F3N2 — CID 167075132

IUPAC1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole
SMILESCC/C=C(\CCC)c1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-4-7-10(8-5-2)11-9-18(6-3)17-12(11)13(14,15)16/h7,9H,4-6,8H2,1-3H3/b10-7+
InChIKeyUJEQHRYCULIUDJ-JXMROGBWSA-N
MW260.30 g/mol
LogP4.52
Rot. Bonds5

About 1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole

1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole (PubChem CID 167075132) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole
PubChem CID167075132
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole
SMILESCC/C=C(\CCC)c1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-4-7-10(8-5-2)11-9-18(6-3)17-12(11)13(14,15)16/h7,9H,4-6,8H2,1-3H3/b10-7+
InChIKeyUJEQHRYCULIUDJ-JXMROGBWSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-diethyl-3-(trifluoromethyl)pyrazole
CID 155736271
4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole
CID 118357698
N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 135215875
1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 136539852
(3S,4S)-1-[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112080
1-(1-ethyl-3-methylpyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione
CID 19585914
1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine
CID 118357705
(5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 18996942
1-ethyl-4-nitro-3-(trifluoromethyl)pyrazole
CID 97182144
1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 175233372
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 146124332
[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-[(1R,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]methanone
CID 125140617

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole (CID 167075132) is 1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole is CC/C=C(\CCC)c1cn(CC)nc1C(F)(F)F.
What is the InChIKey of 1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole?
The InChIKey is UJEQHRYCULIUDJ-JXMROGBWSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-4-7-10(8-5-2)11-9-18(6-3)17-12(11)13(14,15)16/h7,9H,4-6,8H2,1-3H3/b10-7+.
What are the key properties of 1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole?
1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole has a molecular weight of 260.30 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 167075132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).