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

C16H14N4O2 — CID 5395130

IUPAC5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccccc1
InChIInChI=1S/C16H14N4O2/c1-11(12-6-3-2-4-7-12)17-20-16(21)14-10-13(18-19-14)15-8-5-9-22-15/h2-10H,1H3,(H,18,19)(H,20,21)/b17-11+
InChIKeySCVNFJPMPRUOII-GZTJUZNOSA-N
MW294.31 g/mol
LogP2.82
Rot. Bonds4

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

5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5395130) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5395130
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccccc1
InChIInChI=1S/C16H14N4O2/c1-11(12-6-3-2-4-7-12)17-20-16(21)14-10-13(18-19-14)15-8-5-9-22-15/h2-10H,1H3,(H,18,19)(H,20,21)/b17-11+
InChIKeySCVNFJPMPRUOII-GZTJUZNOSA-N
XLogP2.82
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.82
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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Related Compounds

N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6092910
5-(furan-2-yl)-N-[1-(3-nitrophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 4224828
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6106656
5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 3669463
N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 4024773
5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6862082
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 3622195
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5399764
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6077693
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide
CID 138454533

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide (CID 5395130) is 5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is SCVNFJPMPRUOII-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11(12-6-3-2-4-7-12)17-20-16(21)14-10-13(18-19-14)15-8-5-9-22-15/h2-10H,1H3,(H,18,19)(H,20,21)/b17-11+.
What are the key properties of 5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5395130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).