3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide

C23H16F5N3O2 — CID 162689498

IUPAC3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc3ccc(OCc4ccc(F)c(F)c4F)cc23)c(C(F)F)n1
InChIInChI=1S/C23H16F5N3O2/c1-31-10-16(21(30-31)22(27)28)23(32)29-18-4-2-3-12-5-7-14(9-15(12)18)33-11-13-6-8-17(24)20(26)19(13)25/h2-10,22H,11H2,1H3,(H,29,32)
InChIKeyRDHHCTSDHLODIA-UHFFFAOYSA-N
MW461.39 g/mol
LogP5.76
Rot. Bonds6

About 3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide (PubChem CID 162689498) has the molecular formula C23H16F5N3O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide
PubChem CID162689498
Molecular FormulaC23H16F5N3O2
Molecular Weight461.39 g/mol
Exact Mass461.12
IUPAC Name3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc3ccc(OCc4ccc(F)c(F)c4F)cc23)c(C(F)F)n1
InChIInChI=1S/C23H16F5N3O2/c1-31-10-16(21(30-31)22(27)28)23(32)29-18-4-2-3-12-5-7-14(9-15(12)18)33-11-13-6-8-17(24)20(26)19(13)25/h2-10,22H,11H2,1H3,(H,29,32)
InChIKeyRDHHCTSDHLODIA-UHFFFAOYSA-N
XLogP5.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
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3-(difluoromethyl)-5-fluoro-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide;3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
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N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
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3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
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cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide (CID 162689498) is 3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cccc3ccc(OCc4ccc(F)c(F)c4F)cc23)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide?
The InChIKey is RDHHCTSDHLODIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N3O2/c1-31-10-16(21(30-31)22(27)28)23(32)29-18-4-2-3-12-5-7-14(9-15(12)18)33-11-13-6-8-17(24)20(26)19(13)25/h2-10,22H,11H2,1H3,(H,29,32).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide has a molecular weight of 461.39 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-[7-[(2,3,4-trifluorophenyl)methoxy]naphthalen-1-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 162689498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).