4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C9H11F3N2 — CID 90162145

IUPAC4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESC=Cc1cn(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-4-7-5-14(6(2)3)13-8(7)9(10,11)12/h4-6H,1H2,2-3H3
InChIKeyVSSRKECDGNPVLE-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.13
Rot. Bonds2

About 4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 90162145) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID90162145
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESC=Cc1cn(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-4-7-5-14(6(2)3)13-8(7)9(10,11)12/h4-6H,1H2,2-3H3
InChIKeyVSSRKECDGNPVLE-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 90162145) is 4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is C=Cc1cn(C(C)C)nc1C(F)(F)F.
What is the InChIKey of 4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is VSSRKECDGNPVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-4-7-5-14(6(2)3)13-8(7)9(10,11)12/h4-6H,1H2,2-3H3.
What are the key properties of 4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 204.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90162145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).