N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C16H14N4O3 — CID 135616972

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)n[nH]2)o1
InChIInChI=1S/C16H14N4O3/c1-10-6-7-15(23-10)12-8-13(19-18-12)16(22)20-17-9-11-4-2-3-5-14(11)21/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+
InChIKeyUUBPDEVWPORETD-RQZCQDPDSA-N
MW310.31 g/mol
LogP2.45
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 135616972) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID135616972
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)n[nH]2)o1
InChIInChI=1S/C16H14N4O3/c1-10-6-7-15(23-10)12-8-13(19-18-12)16(22)20-17-9-11-4-2-3-5-14(11)21/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+
InChIKeyUUBPDEVWPORETD-RQZCQDPDSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 135616972) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)n[nH]2)o1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is UUBPDEVWPORETD-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-6-7-15(23-10)12-8-13(19-18-12)16(22)20-17-9-11-4-2-3-5-14(11)21/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135616972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).