2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide

C19H20N4O4 — CID 1402084

IUPAC2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide
SMILESCOc1ccc(-c2c(-c3ccc(OCC(=O)NN)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C19H20N4O4/c1-11-18(12-3-5-13(26-2)6-4-12)19(23-22-11)15-8-7-14(9-16(15)24)27-10-17(25)21-20/h3-9,24H,10,20H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyNQWSMBUJWXQVBD-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.14
Rot. Bonds6

About 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide

2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide (PubChem CID 1402084) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide
PubChem CID1402084
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide
SMILESCOc1ccc(-c2c(-c3ccc(OCC(=O)NN)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C19H20N4O4/c1-11-18(12-3-5-13(26-2)6-4-12)19(23-22-11)15-8-7-14(9-16(15)24)27-10-17(25)21-20/h3-9,24H,10,20H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyNQWSMBUJWXQVBD-UHFFFAOYSA-N
XLogP2.14
TPSA122.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide?
The IUPAC name of 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide (CID 1402084) is 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide.
What is the SMILES notation for 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide?
The canonical SMILES for 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide is COc1ccc(-c2c(-c3ccc(OCC(=O)NN)cc3O)n[nH]c2C)cc1.
What is the InChIKey of 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide?
The InChIKey is NQWSMBUJWXQVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11-18(12-3-5-13(26-2)6-4-12)19(23-22-11)15-8-7-14(9-16(15)24)27-10-17(25)21-20/h3-9,24H,10,20H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide?
2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide has a molecular weight of 368.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide is sourced from PubChem (CID 1402084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).