2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide

C12H11N3O4 — CID 176998033

IUPAC2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide
SMILESO=Cc1c(O)cccc1OCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C12H11N3O4/c16-6-8-9(17)2-1-3-10(8)19-7-12(18)14-11-4-5-13-15-11/h1-6,17H,7H2,(H2,13,14,15,18)
InChIKeyUTTJDPKYJQKSTK-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.95
Rot. Bonds5

About 2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide

2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 176998033) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide
PubChem CID176998033
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide
SMILESO=Cc1c(O)cccc1OCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C12H11N3O4/c16-6-8-9(17)2-1-3-10(8)19-7-12(18)14-11-4-5-13-15-11/h1-6,17H,7H2,(H2,13,14,15,18)
InChIKeyUTTJDPKYJQKSTK-UHFFFAOYSA-N
XLogP0.95
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393587
2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393949
2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid
CID 61393398
3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61394030
3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393959
2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide
CID 112687554
[3-[3-[[2-(2-formyl-3-hydroxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176998688
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
CID 61490026
2-(3-chlorophenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 60615735
3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 62834246
methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
CID 139513796

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide (CID 176998033) is 2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide is O=Cc1c(O)cccc1OCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is UTTJDPKYJQKSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-6-8-9(17)2-1-3-10(8)19-7-12(18)14-11-4-5-13-15-11/h1-6,17H,7H2,(H2,13,14,15,18).
What are the key properties of 2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 261.24 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-3-hydroxyphenoxy)-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 176998033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).