2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide

C13H16N4O3 — CID 107074926

IUPAC2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
SMILESCOCCn1cc(NC(=O)c2cc(O)ccc2N)cn1
InChIInChI=1S/C13H16N4O3/c1-20-5-4-17-8-9(7-15-17)16-13(19)11-6-10(18)2-3-12(11)14/h2-3,6-8,18H,4-5,14H2,1H3,(H,16,19)
InChIKeyWOKKOFGWIPHKFA-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.07
Rot. Bonds5

About 2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide

2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide (PubChem CID 107074926) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
PubChem CID107074926
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
SMILESCOCCn1cc(NC(=O)c2cc(O)ccc2N)cn1
InChIInChI=1S/C13H16N4O3/c1-20-5-4-17-8-9(7-15-17)16-13(19)11-6-10(18)2-3-12(11)14/h2-3,6-8,18H,4-5,14H2,1H3,(H,16,19)
InChIKeyWOKKOFGWIPHKFA-UHFFFAOYSA-N
XLogP1.07
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methylpyridine-3-carboxamide
CID 81240834
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 66482554
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 61052437
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 114325867
5-hydrazinyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 107377908
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 61067363

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide (CID 107074926) is 2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide is COCCn1cc(NC(=O)c2cc(O)ccc2N)cn1.
What is the InChIKey of 2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The InChIKey is WOKKOFGWIPHKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-20-5-4-17-8-9(7-15-17)16-13(19)11-6-10(18)2-3-12(11)14/h2-3,6-8,18H,4-5,14H2,1H3,(H,16,19).
What are the key properties of 2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide has a molecular weight of 276.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 107074926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).