(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

C21H21FN4O3 — CID 34385299

IUPAC(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCOc1ccc(CC(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1F
InChIInChI=1S/C21H21FN4O3/c1-14(26-10-4-9-23-26)21(28)25-17-6-3-5-16(13-17)24-20(27)12-15-7-8-19(29-2)18(22)11-15/h3-11,13-14H,12H2,1-2H3,(H,24,27)(H,25,28)/t14-/m0/s1
InChIKeyARGBWSDGEYRTSO-AWEZNQCLSA-N
MW396.42 g/mol
LogP3.41
Rot. Bonds7

About (2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 34385299) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is (2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID34385299
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCOc1ccc(CC(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1F
InChIInChI=1S/C21H21FN4O3/c1-14(26-10-4-9-23-26)21(28)25-17-6-3-5-16(13-17)24-20(27)12-15-7-8-19(29-2)18(22)11-15/h3-11,13-14H,12H2,1-2H3,(H,24,27)(H,25,28)/t14-/m0/s1
InChIKeyARGBWSDGEYRTSO-AWEZNQCLSA-N
XLogP3.41
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 43068731
N-[3-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33015490
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46440829
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
CID 119717826
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 34385299) is (2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is COc1ccc(CC(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1F.
What is the InChIKey of (2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is ARGBWSDGEYRTSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-14(26-10-4-9-23-26)21(28)25-17-6-3-5-16(13-17)24-20(27)12-15-7-8-19(29-2)18(22)11-15/h3-11,13-14H,12H2,1-2H3,(H,24,27)(H,25,28)/t14-/m0/s1.
What are the key properties of (2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 396.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 34385299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).