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

C18H18N4O3 — CID 5403007

IUPAC3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccco2)[nH]n1
InChIInChI=1S/C18H18N4O3/c1-3-24-17-8-5-4-7-13(17)14-11-15(21-20-14)18(23)22-19-12(2)16-9-6-10-25-16/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)/b19-12+
InChIKeyCKFUOQOQBPELRS-XDHOZWIPSA-N
MW338.37 g/mol
LogP3.22
Rot. Bonds6

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

3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 5403007) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID5403007
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccco2)[nH]n1
InChIInChI=1S/C18H18N4O3/c1-3-24-17-8-5-4-7-13(17)14-11-15(21-20-14)18(23)22-19-12(2)16-9-6-10-25-16/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)/b19-12+
InChIKeyCKFUOQOQBPELRS-XDHOZWIPSA-N
XLogP3.22
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
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-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide (CID 5403007) is 3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide is CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccco2)[nH]n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is CKFUOQOQBPELRS-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-3-24-17-8-5-4-7-13(17)14-11-15(21-20-14)18(23)22-19-12(2)16-9-6-10-25-16/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)/b19-12+.
What are the key properties of 3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5403007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).