4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile

C8H8F3N3 — CID 70791445

IUPAC4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile
SMILESCCc1c(C#N)nn(C)c1C(F)(F)F
InChIInChI=1S/C8H8F3N3/c1-3-5-6(4-12)13-14(2)7(5)8(9,10)11/h3H2,1-2H3
InChIKeyFYLXICTXOYMTQP-UHFFFAOYSA-N
MW203.17 g/mol
LogP1.87
Rot. Bonds1

About 4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile

4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile (PubChem CID 70791445) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is 4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile
PubChem CID70791445
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile
SMILESCCc1c(C#N)nn(C)c1C(F)(F)F
InChIInChI=1S/C8H8F3N3/c1-3-5-6(4-12)13-14(2)7(5)8(9,10)11/h3H2,1-2H3
InChIKeyFYLXICTXOYMTQP-UHFFFAOYSA-N
XLogP1.87
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile?
The IUPAC name of 4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile (CID 70791445) is 4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile?
The canonical SMILES for 4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile is CCc1c(C#N)nn(C)c1C(F)(F)F.
What is the InChIKey of 4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile?
The InChIKey is FYLXICTXOYMTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3/c1-3-5-6(4-12)13-14(2)7(5)8(9,10)11/h3H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile?
4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile has a molecular weight of 203.17 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 70791445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).