5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide

C18H16N4O2 — CID 6862384

IUPAC5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)n[nH]2)o1
InChIInChI=1S/C18H16N4O2/c1-13-9-10-17(24-13)15-12-16(21-20-15)18(23)22-19-11-5-8-14-6-3-2-4-7-14/h2-12H,1H3,(H,20,21)(H,22,23)/b8-5+,19-11+
InChIKeyQTLOIYGRYWJXDZ-CEGJKDKLSA-N
MW320.35 g/mol
LogP3.41
Rot. Bonds5

About 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide (PubChem CID 6862384) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
PubChem CID6862384
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)n[nH]2)o1
InChIInChI=1S/C18H16N4O2/c1-13-9-10-17(24-13)15-12-16(21-20-15)18(23)22-19-11-5-8-14-6-3-2-4-7-14/h2-12H,1H3,(H,20,21)(H,22,23)/b8-5+,19-11+
InChIKeyQTLOIYGRYWJXDZ-CEGJKDKLSA-N
XLogP3.41
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide (CID 6862384) is 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The InChIKey is QTLOIYGRYWJXDZ-CEGJKDKLSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-13-9-10-17(24-13)15-12-16(21-20-15)18(23)22-19-11-5-8-14-6-3-2-4-7-14/h2-12H,1H3,(H,20,21)(H,22,23)/b8-5+,19-11+.
What are the key properties of 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6862384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).