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

C19H20N4O5 — CID 1394611

IUPAC2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide
SMILESCOc1ccccc1Oc1c(-c2ccc(OCC(=O)NN)cc2O)n[nH]c1C
InChIInChI=1S/C19H20N4O5/c1-11-19(28-16-6-4-3-5-15(16)26-2)18(23-22-11)13-8-7-12(9-14(13)24)27-10-17(25)21-20/h3-9,24H,10,20H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHMMBOPBHQLPBAI-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.26
Rot. Bonds7

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

2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide (PubChem CID 1394611) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide
PubChem CID1394611
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide
SMILESCOc1ccccc1Oc1c(-c2ccc(OCC(=O)NN)cc2O)n[nH]c1C
InChIInChI=1S/C19H20N4O5/c1-11-19(28-16-6-4-3-5-15(16)26-2)18(23-22-11)13-8-7-12(9-14(13)24)27-10-17(25)21-20/h3-9,24H,10,20H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHMMBOPBHQLPBAI-UHFFFAOYSA-N
XLogP2.26
TPSA131.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.26
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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Related Compounds

methyl 4-[[3-[4-(2-hydrazinyl-2-oxoethoxy)-2-hydroxyphenyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
CID 2020812
2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
CID 3576996
N-(3-ethanehydrazonoylphenyl)-2-[4-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-3-hydroxyphenoxy]acetamide
CID 135653587
2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol
CID 135651652
methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
CID 135651536
2-[2-amino-5-(2-methoxyphenoxy)-6-methylpyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol
CID 665769
5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
CID 135651835
2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol
CID 164946717
2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol
CID 665714
2-(4-phenoxyphenoxy)acetohydrazide
CID 873173
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol
CID 135503160

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide?
The IUPAC name of 2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide (CID 1394611) is 2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide.
What is the SMILES notation for 2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide?
The canonical SMILES for 2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide is COc1ccccc1Oc1c(-c2ccc(OCC(=O)NN)cc2O)n[nH]c1C.
What is the InChIKey of 2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide?
The InChIKey is HMMBOPBHQLPBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-11-19(28-16-6-4-3-5-15(16)26-2)18(23-22-11)13-8-7-12(9-14(13)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-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide?
2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide has a molecular weight of 384.39 g/mol, XLogP of 2.26, 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-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide is sourced from PubChem (CID 1394611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).