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

C16H14N4O3 — CID 135438887

IUPAC5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(O)cc1
InChIInChI=1S/C16H14N4O3/c1-10(11-4-6-12(21)7-5-11)17-20-16(22)14-9-13(18-19-14)15-3-2-8-23-15/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-10+
InChIKeyXSKNKYKMAVQRER-LICLKQGHSA-N
MW310.31 g/mol
LogP2.53
Rot. Bonds4

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

5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 135438887) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID135438887
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(O)cc1
InChIInChI=1S/C16H14N4O3/c1-10(11-4-6-12(21)7-5-11)17-20-16(22)14-9-13(18-19-14)15-3-2-8-23-15/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-10+
InChIKeyXSKNKYKMAVQRER-LICLKQGHSA-N
XLogP2.53
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide (CID 135438887) is 5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(O)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is XSKNKYKMAVQRER-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10(11-4-6-12(21)7-5-11)17-20-16(22)14-9-13(18-19-14)15-3-2-8-23-15/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-10+.
What are the key properties of 5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135438887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).