2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide

C15H14F4N4O2 — CID 139416282

IUPAC2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-n2ccc(OCCC3CC3C(F)(F)F)n2)nc1F
InChIInChI=1S/C15H14F4N4O2/c16-13-9(14(20)24)1-2-11(21-13)23-5-3-12(22-23)25-6-4-8-7-10(8)15(17,18)19/h1-3,5,8,10H,4,6-7H2,(H2,20,24)
InChIKeyPOXPHAXQNHXKOH-UHFFFAOYSA-N
MW358.30 g/mol
LogP2.47
Rot. Bonds6

About 2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide

2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 139416282) has the molecular formula C15H14F4N4O2 and a molecular weight of 358.30 g/mol. Its IUPAC name is 2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID139416282
Molecular FormulaC15H14F4N4O2
Molecular Weight358.30 g/mol
Exact Mass358.11
IUPAC Name2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-n2ccc(OCCC3CC3C(F)(F)F)n2)nc1F
InChIInChI=1S/C15H14F4N4O2/c16-13-9(14(20)24)1-2-11(21-13)23-5-3-12(22-23)25-6-4-8-7-10(8)15(17,18)19/h1-3,5,8,10H,4,6-7H2,(H2,20,24)
InChIKeyPOXPHAXQNHXKOH-UHFFFAOYSA-N
XLogP2.47
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 159694950
2-fluoro-6-[(6-fluoro-2-pyridinyl)disulfanyl]pyridine;2-fluoro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;[2-fluoro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-3-pyridinyl]-[(6-fluoro-2-pyridinyl)sulfanylamino]methanol
CID 157172817
6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 158102779
4-[4-[4-[[2-chloro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-3-methylpyrazol-1-yl]butyl]-2,2-dimethylpyrrolidine-1-carboxylic acid
CID 139389434
2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 139389139
N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134393628
6-[3-[[(1S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid
CID 170396215
2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine
CID 139399973
N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide
CID 134393536
2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoropropoxy)pyrazol-1-yl]pyridine-3-carboxamide
CID 134587318
N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoropropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane
CID 160709381
2-chloro-N-(3-fluorophenyl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134393477

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 139416282) is 2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(-n2ccc(OCCC3CC3C(F)(F)F)n2)nc1F.
What is the InChIKey of 2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is POXPHAXQNHXKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N4O2/c16-13-9(14(20)24)1-2-11(21-13)23-5-3-12(22-23)25-6-4-8-7-10(8)15(17,18)19/h1-3,5,8,10H,4,6-7H2,(H2,20,24).
What are the key properties of 2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 358.30 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 139416282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).