2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide

C21H23N3O4 — CID 97114066

IUPAC2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
SMILESCOc1ccc(-n2ncc([C@@H](C)NC(=O)COc3ccccc3O)c2C)cc1
InChIInChI=1S/C21H23N3O4/c1-14(23-21(26)13-28-20-7-5-4-6-19(20)25)18-12-22-24(15(18)2)16-8-10-17(27-3)11-9-16/h4-12,14,25H,13H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyWTNVRDKHHVYFSZ-CQSZACIVSA-N
MW381.43 g/mol
LogP3.15
Rot. Bonds7

About 2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide

2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide (PubChem CID 97114066) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
PubChem CID97114066
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
SMILESCOc1ccc(-n2ncc([C@@H](C)NC(=O)COc3ccccc3O)c2C)cc1
InChIInChI=1S/C21H23N3O4/c1-14(23-21(26)13-28-20-7-5-4-6-19(20)25)18-12-22-24(15(18)2)16-8-10-17(27-3)11-9-16/h4-12,14,25H,13H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyWTNVRDKHHVYFSZ-CQSZACIVSA-N
XLogP3.15
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 97133649
1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea
CID 38221139
2-(2-hydroxyphenoxy)-N-(1-naphthalen-1-ylethyl)acetamide
CID 78777927
4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide
CID 55617179
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850
2-(2-hydroxyphenoxy)-N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]acetamide
CID 97117814
3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide
CID 47089574
2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
CID 97152826
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 51938661
2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 75444197
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94806257

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide (CID 97114066) is 2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide is COc1ccc(-n2ncc([C@@H](C)NC(=O)COc3ccccc3O)c2C)cc1.
What is the InChIKey of 2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide?
The InChIKey is WTNVRDKHHVYFSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(23-21(26)13-28-20-7-5-4-6-19(20)25)18-12-22-24(15(18)2)16-8-10-17(27-3)11-9-16/h4-12,14,25H,13H2,1-3H3,(H,23,26)/t14-/m1/s1.
What are the key properties of 2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide?
2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 97114066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).