3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole

C7H7F3N2 — CID 172836487

IUPAC3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCC=Cc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H7F3N2/c1-2-3-5-4-6(12-11-5)7(8,9)10/h2-4H,1H3,(H,11,12)
InChIKeyWFGQJAYNTLEXBS-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.46
Rot. Bonds1

About 3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole

3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 172836487) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID172836487
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCC=Cc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H7F3N2/c1-2-3-5-4-6(12-11-5)7(8,9)10/h2-4H,1H3,(H,11,12)
InChIKeyWFGQJAYNTLEXBS-UHFFFAOYSA-N
XLogP2.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-Dimethylpyrazole
CID 6210
1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
CID 139077
3,5-Bis(trifluoromethyl)pyrazole
CID 518991
3,5-bis(difluoromethyl)-1H-pyrazole
CID 7019433
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945
3-(difluoromethyl)-5-methyl-1H-pyrazole
CID 2782520
5-ethyl-3-(trifluoromethyl)-1H-pyrazole
CID 23006209
3-Methyl-5-(1,1,2,2-tetra-fluoroethyl)pyrazole
CID 15310731
3-[(E)-but-2-en-2-yl]-5-(trifluoromethyl)-1H-pyrazole
CID 89153649
3-(Pentafluoroethyl)-5-methyl-1H-pyrazole
CID 91600534
3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole
CID 1472103
5-(1-Hydrazinylideneethyl)-3-(trifluoromethyl)-1h-pyrazole
CID 137250058

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole (CID 172836487) is 3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole is CC=Cc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is WFGQJAYNTLEXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c1-2-3-5-4-6(12-11-5)7(8,9)10/h2-4H,1H3,(H,11,12).
What are the key properties of 3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole?
3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 176.14 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 172836487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).