N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide

C24H22N4O3 — CID 134011377

IUPACN'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C24H22N4O3/c1-17(31-22-12-11-19-5-2-3-6-21(19)15-22)23(29)26-27-24(30)20-9-7-18(8-10-20)16-28-14-4-13-25-28/h2-15,17H,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyMORRRCFEQDCFRM-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.31
Rot. Bonds6

About N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide

N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide (PubChem CID 134011377) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide
PubChem CID134011377
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C24H22N4O3/c1-17(31-22-12-11-19-5-2-3-6-21(19)15-22)23(29)26-27-24(30)20-9-7-18(8-10-20)16-28-14-4-13-25-28/h2-15,17H,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyMORRRCFEQDCFRM-UHFFFAOYSA-N
XLogP3.31
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.31
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'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide
CID 27813982
4-(cyclopropylmethoxy)-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 60572558
3-ethoxy-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]benzohydrazide
CID 9294538
N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide
CID 60579946
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 55405875
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
CID 17468530
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55792697
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-[2-[2-(2-naphthalen-2-yloxypropanoyl)hydrazinyl]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 17475940

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide?
The IUPAC name of N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide (CID 134011377) is N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide?
The canonical SMILES for N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide is CC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide?
The InChIKey is MORRRCFEQDCFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-17(31-22-12-11-19-5-2-3-6-21(19)15-22)23(29)26-27-24(30)20-9-7-18(8-10-20)16-28-14-4-13-25-28/h2-15,17H,16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide?
N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide has a molecular weight of 414.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide is sourced from PubChem (CID 134011377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).