2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

C20H18F2N4O3 — CID 10318784

IUPAC2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H18F2N4O3/c1-11(23-20(29)18(27)13-7-14(21)9-15(22)8-13)19(28)24-17-10-16(25-26-17)12-5-3-2-4-6-12/h2-11,18,27H,1H3,(H,23,29)(H2,24,25,26,28)
InChIKeyIELMKJVDYRUQDL-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.53
Rot. Bonds6

About 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (PubChem CID 10318784) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
PubChem CID10318784
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H18F2N4O3/c1-11(23-20(29)18(27)13-7-14(21)9-15(22)8-13)19(28)24-17-10-16(25-26-17)12-5-3-2-4-6-12/h2-11,18,27H,1H3,(H,23,29)(H2,24,25,26,28)
InChIKeyIELMKJVDYRUQDL-UHFFFAOYSA-N
XLogP2.53
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-{5-[(2R)-2-hydroxy-2-phenylacetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide
CID 11442557
N-[5-[(2R)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-4-ium-1-yl)benzamide
CID 72199518
N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-methylbenzamide
CID 46911328
N-[5-[(2R)-2-hydroxy-2-phenylacetyl]-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 49866522
2-[[2-(3,5-difluorophenyl)acetyl]amino]-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 9955202
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1H-pyrazol-3-yl]butanamide
CID 9998111
2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
CID 10022888
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide
CID 10024652
2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 10027623
2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
CID 10044419
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 10047290
2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 10047400

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (CID 10318784) is 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is CC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is IELMKJVDYRUQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-11(23-20(29)18(27)13-7-14(21)9-15(22)8-13)19(28)24-17-10-16(25-26-17)12-5-3-2-4-6-12/h2-11,18,27H,1H3,(H,23,29)(H2,24,25,26,28).
What are the key properties of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 400.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 10318784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).