N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide

C18H14F5N5O2 — CID 91758322

IUPACN'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide
SMILESCOc1ncc(NNC(=O)c2cc(-c3ccc(F)cc3)nn2CC(F)(F)F)cc1F
InChIInChI=1S/C18H14F5N5O2/c1-30-17-13(20)6-12(8-24-17)25-26-16(29)15-7-14(10-2-4-11(19)5-3-10)27-28(15)9-18(21,22)23/h2-8,25H,9H2,1H3,(H,26,29)
InChIKeyMTAJIAYYZGNOIC-UHFFFAOYSA-N
MW427.33 g/mol
LogP3.55
Rot. Bonds6

About N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide

N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide (PubChem CID 91758322) has the molecular formula C18H14F5N5O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide
PubChem CID91758322
Molecular FormulaC18H14F5N5O2
Molecular Weight427.33 g/mol
Exact Mass427.11
IUPAC NameN'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide
SMILESCOc1ncc(NNC(=O)c2cc(-c3ccc(F)cc3)nn2CC(F)(F)F)cc1F
InChIInChI=1S/C18H14F5N5O2/c1-30-17-13(20)6-12(8-24-17)25-26-16(29)15-7-14(10-2-4-11(19)5-3-10)27-28(15)9-18(21,22)23/h2-8,25H,9H2,1H3,(H,26,29)
InChIKeyMTAJIAYYZGNOIC-UHFFFAOYSA-N
XLogP3.55
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide?
The IUPAC name of N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide (CID 91758322) is N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide is COc1ncc(NNC(=O)c2cc(-c3ccc(F)cc3)nn2CC(F)(F)F)cc1F.
What is the InChIKey of N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide?
The InChIKey is MTAJIAYYZGNOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N5O2/c1-30-17-13(20)6-12(8-24-17)25-26-16(29)15-7-14(10-2-4-11(19)5-3-10)27-28(15)9-18(21,22)23/h2-8,25H,9H2,1H3,(H,26,29).
What are the key properties of N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide?
N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide has a molecular weight of 427.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-6-methoxy-3-pyridinyl)-3-(4-fluorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 91758322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).