5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one

C20H19F2N3O2 — CID 135355518

IUPAC5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(CC3CC3(F)F)c2)cc1
InChIInChI=1S/C20H19F2N3O2/c1-24-12-18(14-9-23-25(10-14)11-15-8-20(15,21)22)17(7-19(24)26)13-3-5-16(27-2)6-4-13/h3-7,9-10,12,15H,8,11H2,1-2H3
InChIKeyXLYUVQSETHQDEW-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.58
Rot. Bonds5

About 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one

5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one (PubChem CID 135355518) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one
PubChem CID135355518
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(CC3CC3(F)F)c2)cc1
InChIInChI=1S/C20H19F2N3O2/c1-24-12-18(14-9-23-25(10-14)11-15-8-20(15,21)22)17(7-19(24)26)13-3-5-16(27-2)6-4-13/h3-7,9-10,12,15H,8,11H2,1-2H3
InChIKeyXLYUVQSETHQDEW-UHFFFAOYSA-N
XLogP3.58
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 1244077
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 3238161
{4-(4-methoxybenzyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol
CID 16188774
N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791441
1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24818870
3-(3-fluoro-4-methoxyphenyl)-1-{2-[(1H-pyrazol-1-yl)methyl]piperidin-1-yl}propan-1-one
CID 53626427
US10617680, Example 120
CID 135355264
US10617680, Example 113
CID 135355323
US10617680, Example 28
CID 135355401
US10617680, Example 27
CID 135355534
2-(3-Fluoro-4-methoxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 53564866
4-(4-Methoxyphenyl)-1-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-one
CID 53590254

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one?
The IUPAC name of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one (CID 135355518) is 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one is COc1ccc(-c2cc(=O)n(C)cc2-c2cnn(CC3CC3(F)F)c2)cc1.
What is the InChIKey of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one?
The InChIKey is XLYUVQSETHQDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-24-12-18(14-9-23-25(10-14)11-15-8-20(15,21)22)17(7-19(24)26)13-3-5-16(27-2)6-4-13/h3-7,9-10,12,15H,8,11H2,1-2H3.
What are the key properties of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one?
5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one has a molecular weight of 371.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(4-methoxyphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 135355518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).