5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

C13H10F3N3 — CID 82304029

IUPAC5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
SMILESCCc1c(C#N)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3/c1-2-12-9(7-17)8-18-19(12)11-5-3-4-10(6-11)13(14,15)16/h3-6,8H,2H2,1H3
InChIKeyCODYZAYWJMMBMA-UHFFFAOYSA-N
MW265.24 g/mol
LogP3.33
Rot. Bonds2

About 5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile (PubChem CID 82304029) has the molecular formula C13H10F3N3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
PubChem CID82304029
Molecular FormulaC13H10F3N3
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
SMILESCCc1c(C#N)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3/c1-2-12-9(7-17)8-18-19(12)11-5-3-4-10(6-11)13(14,15)16/h3-6,8H,2H2,1H3
InChIKeyCODYZAYWJMMBMA-UHFFFAOYSA-N
XLogP3.33
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 23320436
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
4-[5-[4-ethyl-1-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-4-methylpyrazol-1-yl]benzonitrile
CID 90198013
N-[5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 155947890
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 115069398
5-chloro-3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 63788601
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54513433
4-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 2806178
[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437452
5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 75355917

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile (CID 82304029) is 5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile is CCc1c(C#N)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The InChIKey is CODYZAYWJMMBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3/c1-2-12-9(7-17)8-18-19(12)11-5-3-4-10(6-11)13(14,15)16/h3-6,8H,2H2,1H3.
What are the key properties of 5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile has a molecular weight of 265.24 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 82304029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).