4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide

C17H19F2N3O2 — CID 146085454

IUPAC4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide
SMILESCn1ccc(CNC(=O)C2(c3ccc(F)cc3F)CCOCC2)n1
InChIInChI=1S/C17H19F2N3O2/c1-22-7-4-13(21-22)11-20-16(23)17(5-8-24-9-6-17)14-3-2-12(18)10-15(14)19/h2-4,7,10H,5-6,8-9,11H2,1H3,(H,20,23)
InChIKeyZJBPCVNYHGPMFL-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.06
Rot. Bonds4

About 4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide

4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide (PubChem CID 146085454) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide
PubChem CID146085454
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide
SMILESCn1ccc(CNC(=O)C2(c3ccc(F)cc3F)CCOCC2)n1
InChIInChI=1S/C17H19F2N3O2/c1-22-7-4-13(21-22)11-20-16(23)17(5-8-24-9-6-17)14-3-2-12(18)10-15(14)19/h2-4,7,10H,5-6,8-9,11H2,1H3,(H,20,23)
InChIKeyZJBPCVNYHGPMFL-UHFFFAOYSA-N
XLogP2.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544305
4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177
1-(4-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 115913896
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872980
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide
CID 106104420
2-[4-[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109753
4-(2,4-difluorophenyl)-N-(3-hydroxy-4-pyridinyl)oxane-4-carboxamide
CID 86786273
1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873497
4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide
CID 138997352
2-(1-methylpyrazol-3-yl)-1-(4-phenyloxan-4-yl)ethanone
CID 82869926
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide (CID 146085454) is 4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide is Cn1ccc(CNC(=O)C2(c3ccc(F)cc3F)CCOCC2)n1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide?
The InChIKey is ZJBPCVNYHGPMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-22-7-4-13(21-22)11-20-16(23)17(5-8-24-9-6-17)14-3-2-12(18)10-15(14)19/h2-4,7,10H,5-6,8-9,11H2,1H3,(H,20,23).
What are the key properties of 4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide?
4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 146085454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).