N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide

C20H22N4O4S — CID 90778691

IUPACN-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide
SMILESCOc1cccc(CCc2cc(N(NS(C)(=O)=O)C(=O)c3ccccc3)n[nH]2)c1
InChIInChI=1S/C20H22N4O4S/c1-28-18-10-6-7-15(13-18)11-12-17-14-19(22-21-17)24(23-29(2,26)27)20(25)16-8-4-3-5-9-16/h3-10,13-14,23H,11-12H2,1-2H3,(H,21,22)
InChIKeyQTMVZRILECWZCQ-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.31
Rot. Bonds8

About N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide

N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide (PubChem CID 90778691) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide
PubChem CID90778691
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide
SMILESCOc1cccc(CCc2cc(N(NS(C)(=O)=O)C(=O)c3ccccc3)n[nH]2)c1
InChIInChI=1S/C20H22N4O4S/c1-28-18-10-6-7-15(13-18)11-12-17-14-19(22-21-17)24(23-29(2,26)27)20(25)16-8-4-3-5-9-16/h3-10,13-14,23H,11-12H2,1-2H3,(H,21,22)
InChIKeyQTMVZRILECWZCQ-UHFFFAOYSA-N
XLogP2.31
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.31
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

4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589647
4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589783
[5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate
CID 67188115
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 66589912
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-[(2S)-2-(3-methoxyphenyl)-3-phenylpropyl]benzamide
CID 11110747
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172872

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide?
The IUPAC name of N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide (CID 90778691) is N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide.
What is the SMILES notation for N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide?
The canonical SMILES for N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide is COc1cccc(CCc2cc(N(NS(C)(=O)=O)C(=O)c3ccccc3)n[nH]2)c1.
What is the InChIKey of N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide?
The InChIKey is QTMVZRILECWZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-28-18-10-6-7-15(13-18)11-12-17-14-19(22-21-17)24(23-29(2,26)27)20(25)16-8-4-3-5-9-16/h3-10,13-14,23H,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide?
N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide has a molecular weight of 414.49 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide is sourced from PubChem (CID 90778691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).