3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide

C20H20N4O3 — CID 1128655

IUPAC3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)NN=C(C)c2ccc(O)cc2)[nH]n1
InChIInChI=1S/C20H20N4O3/c1-3-27-19-7-5-4-6-16(19)17-12-18(23-22-17)20(26)24-21-13(2)14-8-10-15(25)11-9-14/h4-12,25H,3H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyXHUAHBUGXKFJHL-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.34
Rot. Bonds6

About 3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide

3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 1128655) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID1128655
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)NN=C(C)c2ccc(O)cc2)[nH]n1
InChIInChI=1S/C20H20N4O3/c1-3-27-19-7-5-4-6-16(19)17-12-18(23-22-17)20(26)24-21-13(2)14-8-10-15(25)11-9-14/h4-12,25H,3H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyXHUAHBUGXKFJHL-UHFFFAOYSA-N
XLogP3.34
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547232
3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6273602
3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657
3-(4-ethylphenyl)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 136808343
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135625926
3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4198779
3-(4-ethoxyphenyl)-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4102387
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
3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 686577
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (CID 1128655) is 3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is CCOc1ccccc1-c1cc(C(=O)NN=C(C)c2ccc(O)cc2)[nH]n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is XHUAHBUGXKFJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-27-19-7-5-4-6-16(19)17-12-18(23-22-17)20(26)24-21-13(2)14-8-10-15(25)11-9-14/h4-12,25H,3H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of 3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1128655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).