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

C20H18F2N4O2 — CID 10022888

IUPAC2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)Cc1cc(F)ccc1F)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H18F2N4O2/c1-12(23-19(27)10-14-9-15(21)7-8-16(14)22)20(28)24-18-11-17(25-26-18)13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyGBOIVAGSGSZLCK-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.04
Rot. Bonds6

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

2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (PubChem CID 10022888) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
PubChem CID10022888
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)Cc1cc(F)ccc1F)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H18F2N4O2/c1-12(23-19(27)10-14-9-15(21)7-8-16(14)22)20(28)24-18-11-17(25-26-18)13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyGBOIVAGSGSZLCK-UHFFFAOYSA-N
XLogP3.04
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330943
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 5330952
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
CID 5330953
3-Aminopyrazole deriv. 27
CID 5330961
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 5331003
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-fluorophenyl)phenyl]acetamide
CID 5331004
N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-2-phenylacetamide
CID 9857034
N-butyl-3-{2-[4-(pyrrolidin-1-yl)phenyl]acetamido}-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 11361885
N-phenyl-3-(2-phenylacetamido)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 23645988
3-(2-Phenylacetamido)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide
CID 23645989

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (CID 10022888) is 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is CC(NC(=O)Cc1cc(F)ccc1F)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is GBOIVAGSGSZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-12(23-19(27)10-14-9-15(21)7-8-16(14)22)20(28)24-18-11-17(25-26-18)13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 384.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 10022888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).