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

C18H18N4O5 — CID 1414734

IUPAC2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide
SMILESCOc1cccc(Oc2cn[nH]c2-c2ccc(OCC(=O)NN)cc2O)c1
InChIInChI=1S/C18H18N4O5/c1-25-11-3-2-4-13(7-11)27-16-9-20-22-18(16)14-6-5-12(8-15(14)23)26-10-17(24)21-19/h2-9,23H,10,19H2,1H3,(H,20,22)(H,21,24)
InChIKeyKCOWACAZYHEWLV-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.95
Rot. Bonds7

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

2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide (PubChem CID 1414734) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide
PubChem CID1414734
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide
SMILESCOc1cccc(Oc2cn[nH]c2-c2ccc(OCC(=O)NN)cc2O)c1
InChIInChI=1S/C18H18N4O5/c1-25-11-3-2-4-13(7-11)27-16-9-20-22-18(16)14-6-5-12(8-15(14)23)26-10-17(24)21-19/h2-9,23H,10,19H2,1H3,(H,20,22)(H,21,24)
InChIKeyKCOWACAZYHEWLV-UHFFFAOYSA-N
XLogP1.95
TPSA131.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide?
The IUPAC name of 2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide (CID 1414734) is 2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide.
What is the SMILES notation for 2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide?
The canonical SMILES for 2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide is COc1cccc(Oc2cn[nH]c2-c2ccc(OCC(=O)NN)cc2O)c1.
What is the InChIKey of 2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide?
The InChIKey is KCOWACAZYHEWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-25-11-3-2-4-13(7-11)27-16-9-20-22-18(16)14-6-5-12(8-15(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-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide?
2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide has a molecular weight of 370.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-[4-(3-methoxyphenoxy)-1H-pyrazol-5-yl]phenoxy]acetohydrazide is sourced from PubChem (CID 1414734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).