N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide

C19H15F5N4O2 — CID 167158085

IUPACN-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide
SMILESCC(C)(Oc1cc(F)cc(-c2cc(NC=O)nn2-c2cncc(F)c2)c1)C(F)(F)F
InChIInChI=1S/C19H15F5N4O2/c1-18(2,19(22,23)24)30-15-4-11(3-12(20)6-15)16-7-17(26-10-29)27-28(16)14-5-13(21)8-25-9-14/h3-10H,1-2H3,(H,26,27,29)
InChIKeyKGIZUWCDSHGFAD-UHFFFAOYSA-N
MW426.35 g/mol
LogP4.50
Rot. Bonds6

About N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide

N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide (PubChem CID 167158085) has the molecular formula C19H15F5N4O2 and a molecular weight of 426.35 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide
PubChem CID167158085
Molecular FormulaC19H15F5N4O2
Molecular Weight426.35 g/mol
Exact Mass426.11
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide
SMILESCC(C)(Oc1cc(F)cc(-c2cc(NC=O)nn2-c2cncc(F)c2)c1)C(F)(F)F
InChIInChI=1S/C19H15F5N4O2/c1-18(2,19(22,23)24)30-15-4-11(3-12(20)6-15)16-7-17(26-10-29)27-28(16)14-5-13(21)8-25-9-14/h3-10H,1-2H3,(H,26,27,29)
InChIKeyKGIZUWCDSHGFAD-UHFFFAOYSA-N
XLogP4.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-(2-methoxy-1,4-dihydropyrimidin-5-yl)pyrazol-3-yl]formamide
CID 167158080
(3R,4S)-4-(aminomethyl)-N-[5-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-1-[5-(2-phosphanylpropan-2-yl)-3-pyridinyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 170052516
(4R)-N-[1-(5-chloro-3-pyridinyl)-5-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 146226260
benzyl 1-(5-fluoro-3-pyridinyl)-5-[3-methyl-5-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate
CID 170052019
4-[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydro-1H-isoindole-1-carbaldehyde
CID 174823427
(3R,4R)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-pyrazin-2-ylpyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 146226309
1-(3-chloro-4-fluorophenyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazole-3-carboxylic acid
CID 58277289
4-[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydro-1H-isoindole
CID 162593606
4-[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]piperazin-2-one
CID 86574656
3-fluoro-5-(trifluoromethoxy)pyridine
CID 91532712
8-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-azocin-6-amine
CID 174020795
4-[5-(3-chloro-5-fluorophenyl)-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-1-carbaldehyde
CID 174823832

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide (CID 167158085) is N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide is CC(C)(Oc1cc(F)cc(-c2cc(NC=O)nn2-c2cncc(F)c2)c1)C(F)(F)F.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide?
The InChIKey is KGIZUWCDSHGFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N4O2/c1-18(2,19(22,23)24)30-15-4-11(3-12(20)6-15)16-7-17(26-10-29)27-28(16)14-5-13(21)8-25-9-14/h3-10H,1-2H3,(H,26,27,29).
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide?
N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide has a molecular weight of 426.35 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]formamide is sourced from PubChem (CID 167158085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).