2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline

C17H15F3N4 — CID 155580523

IUPAC2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline
SMILESCCc1cc(-c2ccn(-c3ccc(C(F)(F)F)cn3)n2)ccc1N
InChIInChI=1S/C17H15F3N4/c1-2-11-9-12(3-5-14(11)21)15-7-8-24(23-15)16-6-4-13(10-22-16)17(18,19)20/h3-10H,2,21H2,1H3
InChIKeyJGQURGABMIRESP-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.10
Rot. Bonds3

About 2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline

2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline (PubChem CID 155580523) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline.

Molecular Properties

Compound Name2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline
PubChem CID155580523
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline
SMILESCCc1cc(-c2ccn(-c3ccc(C(F)(F)F)cn3)n2)ccc1N
InChIInChI=1S/C17H15F3N4/c1-2-11-9-12(3-5-14(11)21)15-7-8-24(23-15)16-6-4-13(10-22-16)17(18,19)20/h3-10H,2,21H2,1H3
InChIKeyJGQURGABMIRESP-UHFFFAOYSA-N
XLogP4.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 81288373
1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride
CID 90484283
5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine
CID 66691557
4-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid
CID 107345897
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
CID 134947582
3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381323
3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381325
2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 66021139
2-ethyl-4-(1,3-thiazol-4-yl)aniline
CID 130905421
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 123598507
3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde
CID 107430932

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline?
The IUPAC name of 2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline (CID 155580523) is 2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline.
What is the SMILES notation for 2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline?
The canonical SMILES for 2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline is CCc1cc(-c2ccn(-c3ccc(C(F)(F)F)cn3)n2)ccc1N.
What is the InChIKey of 2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline?
The InChIKey is JGQURGABMIRESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4/c1-2-11-9-12(3-5-14(11)21)15-7-8-24(23-15)16-6-4-13(10-22-16)17(18,19)20/h3-10H,2,21H2,1H3.
What are the key properties of 2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline?
2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline has a molecular weight of 332.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline is sourced from PubChem (CID 155580523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).