N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide

C21H22N4O4 — CID 9277379

IUPACN'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide
SMILESCCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cnn(C)c3)cc2)cc1
InChIInChI=1S/C21H22N4O4/c1-3-28-18-8-10-19(11-9-18)29-14-15-4-6-16(7-5-15)20(26)23-24-21(27)17-12-22-25(2)13-17/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNPXIPTWDCBCPJJ-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.47
Rot. Bonds7

About N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide

N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide (PubChem CID 9277379) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide
PubChem CID9277379
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide
SMILESCCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cnn(C)c3)cc2)cc1
InChIInChI=1S/C21H22N4O4/c1-3-28-18-8-10-19(11-9-18)29-14-15-4-6-16(7-5-15)20(26)23-24-21(27)17-12-22-25(2)13-17/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNPXIPTWDCBCPJJ-UHFFFAOYSA-N
XLogP2.47
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350
2-[(4-ethoxyphenyl)methyl]-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232040
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide
CID 43066169
[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate
CID 45351914
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
4-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292411
N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
CID 7979451
N'-(4-ethoxybenzoyl)-6-methylpyridine-3-carbohydrazide
CID 18147998
(E)-3-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 19543321
N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 2370954
1-butyl-3-[[4-[(4-ethoxyphenoxy)methyl]benzoyl]amino]thiourea
CID 8626364

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide (CID 9277379) is N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide is CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cnn(C)c3)cc2)cc1.
What is the InChIKey of N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide?
The InChIKey is NPXIPTWDCBCPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-3-28-18-8-10-19(11-9-18)29-14-15-4-6-16(7-5-15)20(26)23-24-21(27)17-12-22-25(2)13-17/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide?
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide has a molecular weight of 394.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 9277379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).