N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide

C20H20N4O3 — CID 17437529

IUPACN'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C20H20N4O3/c1-15-5-2-3-6-18(15)27-14-19(25)22-23-20(26)17-9-7-16(8-10-17)13-24-12-4-11-21-24/h2-12H,13-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyOIPIZYMUVGAVID-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.08
Rot. Bonds6

About N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide

N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide (PubChem CID 17437529) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
PubChem CID17437529
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C20H20N4O3/c1-15-5-2-3-6-18(15)27-14-19(25)22-23-20(26)17-9-7-16(8-10-17)13-24-12-4-11-21-24/h2-12H,13-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyOIPIZYMUVGAVID-UHFFFAOYSA-N
XLogP2.08
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 41483858
N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55897549
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9321094
N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926318
3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
CID 17468530
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9470070
N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 134011377
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide
CID 9321612

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide?
The IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide (CID 17437529) is N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide?
The canonical SMILES for N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide?
The InChIKey is OIPIZYMUVGAVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-15-5-2-3-6-18(15)27-14-19(25)22-23-20(26)17-9-7-16(8-10-17)13-24-12-4-11-21-24/h2-12H,13-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide?
N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide has a molecular weight of 364.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide is sourced from PubChem (CID 17437529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).