N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide

C24H19F3N4O3 — CID 60579946

IUPACN'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C24H19F3N4O3/c1-15(34-20-11-8-16-4-2-3-5-18(16)14-20)22(32)28-29-23(33)17-6-9-19(10-7-17)31-13-12-21(30-31)24(25,26)27/h2-15H,1H3,(H,28,32)(H,29,33)
InChIKeyCUWRQVHLIONOMX-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.27
Rot. Bonds5

About N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide

N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide (PubChem CID 60579946) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide
PubChem CID60579946
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC NameN'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C24H19F3N4O3/c1-15(34-20-11-8-16-4-2-3-5-18(16)14-20)22(32)28-29-23(33)17-6-9-19(10-7-17)31-13-12-21(30-31)24(25,26)27/h2-15H,1H3,(H,28,32)(H,29,33)
InChIKeyCUWRQVHLIONOMX-UHFFFAOYSA-N
XLogP4.27
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.27
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
N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 134011377
4-(cyclopropylmethoxy)-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 60572558
N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide
CID 43003657
tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate
CID 46664059
3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 55405875
4-methoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4940315
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide
CID 7927312
3-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-4-oxophthalazine-1-carbohydrazide
CID 4805664
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide?
The IUPAC name of N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide (CID 60579946) is N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide?
The canonical SMILES for N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide is CC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide?
The InChIKey is CUWRQVHLIONOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c1-15(34-20-11-8-16-4-2-3-5-18(16)14-20)22(32)28-29-23(33)17-6-9-19(10-7-17)31-13-12-21(30-31)24(25,26)27/h2-15H,1H3,(H,28,32)(H,29,33).
What are the key properties of N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide?
N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide has a molecular weight of 468.44 g/mol, XLogP of 4.27, 5 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-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide is sourced from PubChem (CID 60579946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).