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

C20H20N4O3 — CID 5450619

IUPAC3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccc(O)c2)[nH]n1
InChIInChI=1S/C20H20N4O3/c1-3-27-19-10-5-4-9-16(19)17-12-18(23-22-17)20(26)24-21-13(2)14-7-6-8-15(25)11-14/h4-12,25H,3H2,1-2H3,(H,22,23)(H,24,26)/b21-13+
InChIKeyVMMDAXRUBHBFFY-FYJGNVAPSA-N
MW364.41 g/mol
LogP3.34
Rot. Bonds6

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

3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 5450619) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID5450619
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccc(O)c2)[nH]n1
InChIInChI=1S/C20H20N4O3/c1-3-27-19-10-5-4-9-16(19)17-12-18(23-22-17)20(26)24-21-13(2)14-7-6-8-15(25)11-14/h4-12,25H,3H2,1-2H3,(H,22,23)(H,24,26)/b21-13+
InChIKeyVMMDAXRUBHBFFY-FYJGNVAPSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (CID 5450619) is 3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccc(O)c2)[nH]n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is VMMDAXRUBHBFFY-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-27-19-10-5-4-9-16(19)17-12-18(23-22-17)20(26)24-21-13(2)14-7-6-8-15(25)11-14/h4-12,25H,3H2,1-2H3,(H,22,23)(H,24,26)/b21-13+.
What are the key properties of 3-(2-ethoxyphenyl)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
3-(2-ethoxyphenyl)-N-[(E)-1-(3-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-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5450619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).