5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide

C17H20N4O5 — CID 56745437

IUPAC5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C(N)=O)[C@@H](C)O)n[nH]2)c1
InChIInChI=1S/C17H20N4O5/c1-9(22)11-4-3-5-13(6-11)26-8-12-7-14(21-20-12)17(25)19-15(10(2)23)16(18)24/h3-7,10,15,23H,8H2,1-2H3,(H2,18,24)(H,19,25)(H,20,21)/t10-,15+/m1/s1
InChIKeyLYRGWVNYANMINL-BMIGLBTASA-N
MW360.37 g/mol
LogP0.16
Rot. Bonds8

About 5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide

5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 56745437) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID56745437
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C(N)=O)[C@@H](C)O)n[nH]2)c1
InChIInChI=1S/C17H20N4O5/c1-9(22)11-4-3-5-13(6-11)26-8-12-7-14(21-20-12)17(25)19-15(10(2)23)16(18)24/h3-7,10,15,23H,8H2,1-2H3,(H2,18,24)(H,19,25)(H,20,21)/t10-,15+/m1/s1
InChIKeyLYRGWVNYANMINL-BMIGLBTASA-N
XLogP0.16
TPSA147.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56750387
5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42194211
1-[3-[[3-(thiomorpholine-4-carbonyl)-1H-pyrazol-5-yl]methoxy]phenyl]ethanone
CID 42520699
(3S)-1-[5-[(3-acetylphenoxy)methyl]-1H-pyrazole-3-carbonyl]-N-methylpyrrolidine-3-carboxamide
CID 95211608
N-[(2S)-1-methoxypropan-2-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
CID 26396732
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56744380
N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95218567
5-[(3-fluorophenoxy)methyl]-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56751025
5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95219629
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42290375
N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56755829
1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone
CID 117051929

Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide (CID 56745437) is 5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide is CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C(N)=O)[C@@H](C)O)n[nH]2)c1.
What is the InChIKey of 5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is LYRGWVNYANMINL-BMIGLBTASA-N. The full InChI is InChI=1S/C17H20N4O5/c1-9(22)11-4-3-5-13(6-11)26-8-12-7-14(21-20-12)17(25)19-15(10(2)23)16(18)24/h3-7,10,15,23H,8H2,1-2H3,(H2,18,24)(H,19,25)(H,20,21)/t10-,15+/m1/s1.
What are the key properties of 5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide?
5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 0.16, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56745437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).