2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide

C16H18F2N4O2 — CID 56826887

IUPAC2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)C(C)C
InChIInChI=1S/C16H18F2N4O2/c1-8(2)15(19-9(3)23)16(24)20-13-7-12(21-22-13)14-10(17)5-4-6-11(14)18/h4-8,15H,1-3H3,(H,19,23)(H2,20,21,22,24)
InChIKeyYBKCNUCKQCKPNR-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.45
Rot. Bonds5

About 2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide

2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide (PubChem CID 56826887) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide
PubChem CID56826887
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)C(C)C
InChIInChI=1S/C16H18F2N4O2/c1-8(2)15(19-9(3)23)16(24)20-13-7-12(21-22-13)14-10(17)5-4-6-11(14)18/h4-8,15H,1-3H3,(H,19,23)(H2,20,21,22,24)
InChIKeyYBKCNUCKQCKPNR-UHFFFAOYSA-N
XLogP2.45
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.45
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-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 5330952
3-Aminopyrazole deriv. 27
CID 5330961
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
3-(2-Phenylacetamido)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide
CID 23645989
(2R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330957
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330958
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330965
N-butyl-3-[2-(2-fluorophenyl)acetamido]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 23645990
2,4-dimethylpentan-3-yl N-[(3S)-1,2-dioxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]heptan-3-yl]carbamate
CID 11189948

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide (CID 56826887) is 2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide is CC(=O)NC(C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)C(C)C.
What is the InChIKey of 2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is YBKCNUCKQCKPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-8(2)15(19-9(3)23)16(24)20-13-7-12(21-22-13)14-10(17)5-4-6-11(14)18/h4-8,15H,1-3H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of 2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide?
2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 336.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 56826887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).