N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide

C20H19BrN4O2 — CID 3592539

IUPACN'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2cccc(OCC)c2)n[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4O2/c1-3-27-17-6-4-5-15(11-17)18-12-19(24-23-18)20(26)25-22-13(2)14-7-9-16(21)10-8-14/h4-12,22H,2-3H2,1H3,(H,23,24)(H,25,26)
InChIKeyZLHTVVYWZSDNDD-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.14
Rot. Bonds7

About N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide

N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 3592539) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID3592539
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC NameN'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2cccc(OCC)c2)n[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4O2/c1-3-27-17-6-4-5-15(11-17)18-12-19(24-23-18)20(26)25-22-13(2)14-7-9-16(21)10-8-14/h4-12,22H,2-3H2,1H3,(H,23,24)(H,25,26)
InChIKeyZLHTVVYWZSDNDD-UHFFFAOYSA-N
XLogP4.14
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide
CID 3486697
3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 5081430
3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
CID 4283520
N'-[1-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2068775
N'-[1-(4-aminophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2269985
N-[(3-bromophenyl)methyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856990
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185211
4-bromo-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]benzamide
CID 35945015
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
3-(3-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 5399799
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid
CID 82445963

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide (CID 3592539) is N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide is C=C(NNC(=O)c1cc(-c2cccc(OCC)c2)n[nH]1)c1ccc(Br)cc1.
What is the InChIKey of N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is ZLHTVVYWZSDNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c1-3-27-17-6-4-5-15(11-17)18-12-19(24-23-18)20(26)25-22-13(2)14-7-9-16(21)10-8-14/h4-12,22H,2-3H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 427.30 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 3592539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).