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

C18H18N4O4 — CID 135577748

IUPAC2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OCC(=O)NN)cc2O)cc1
InChIInChI=1S/C18H18N4O4/c1-25-12-4-2-11(3-5-12)15-9-20-22-18(15)14-7-6-13(8-16(14)23)26-10-17(24)21-19/h2-9,23H,10,19H2,1H3,(H,20,22)(H,21,24)
InChIKeyFMXIAFKGONZVJZ-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.83
Rot. Bonds6

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

2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide (PubChem CID 135577748) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide
PubChem CID135577748
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OCC(=O)NN)cc2O)cc1
InChIInChI=1S/C18H18N4O4/c1-25-12-4-2-11(3-5-12)15-9-20-22-18(15)14-7-6-13(8-16(14)23)26-10-17(24)21-19/h2-9,23H,10,19H2,1H3,(H,20,22)(H,21,24)
InChIKeyFMXIAFKGONZVJZ-UHFFFAOYSA-N
XLogP1.83
TPSA122.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.83
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'}

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Related Compounds

3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 764764
5-methoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 947248
4-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzene-1,3-diol
CID 947289
5-(4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141435695
2-[4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
CID 2001082
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
CID 945537
5-Ethoxy-2-(4-phenyl-1H-pyrazol-3-YL)phenol
CID 764775
3-methoxy-6-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methylphenol
CID 802199
2-{3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy}acetohydrazide
CID 1402084
4-(4-(3-methoxyphenoxy)-1H-pyrazol-3-yl)benzene-1,3-diol
CID 664079
5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
CID 664959
2-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-4-ethyl-5-methoxyphenol
CID 1285275

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide?
The IUPAC name of 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide (CID 135577748) is 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide.
What is the SMILES notation for 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide?
The canonical SMILES for 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide is COc1ccc(-c2cn[nH]c2-c2ccc(OCC(=O)NN)cc2O)cc1.
What is the InChIKey of 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide?
The InChIKey is FMXIAFKGONZVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-25-12-4-2-11(3-5-12)15-9-20-22-18(15)14-7-6-13(8-16(14)23)26-10-17(24)21-19/h2-9,23H,10,19H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide?
2-[3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenoxy]acetohydrazide has a molecular weight of 354.37 g/mol, XLogP of 1.83, 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)-1H-pyrazol-5-yl]phenoxy]acetohydrazide is sourced from PubChem (CID 135577748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).