3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide

C20H20N4O2 — CID 4283520

IUPAC3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2ccccc2OCC)n[nH]1)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-3-26-19-12-8-7-11-16(19)17-13-18(23-22-17)20(25)24-21-14(2)15-9-5-4-6-10-15/h4-13,21H,2-3H2,1H3,(H,22,23)(H,24,25)
InChIKeySYMJKYAMDZUXAG-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.38
Rot. Bonds7

About 3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide

3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 4283520) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID4283520
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2ccccc2OCC)n[nH]1)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-3-26-19-12-8-7-11-16(19)17-13-18(23-22-17)20(25)24-21-14(2)15-9-5-4-6-10-15/h4-13,21H,2-3H2,1H3,(H,22,23)(H,24,25)
InChIKeySYMJKYAMDZUXAG-UHFFFAOYSA-N
XLogP3.38
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.38
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

2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide
CID 56796065
3-(2-ethoxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547232
3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 1128655
3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 3592539
3-[2-(2-methylprop-2-enoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117399111
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
3-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128639
3-(2-ethoxyphenyl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6864976
3-(2-ethoxyphenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6880808
3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 71822328
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 136700627

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide (CID 4283520) is 3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide is C=C(NNC(=O)c1cc(-c2ccccc2OCC)n[nH]1)c1ccccc1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is SYMJKYAMDZUXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-26-19-12-8-7-11-16(19)17-13-18(23-22-17)20(25)24-21-14(2)15-9-5-4-6-10-15/h4-13,21H,2-3H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide?
3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 348.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 4283520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).