5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide

C20H16N4O2 — CID 3669463

IUPAC5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccco2)[nH]n1)c1cccc2ccccc12
InChIInChI=1S/C20H16N4O2/c1-13(15-9-4-7-14-6-2-3-8-16(14)15)21-24-20(25)18-12-17(22-23-18)19-10-5-11-26-19/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyDNOCRCJAMINEQX-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.98
Rot. Bonds4

About 5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide (PubChem CID 3669463) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide
PubChem CID3669463
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccco2)[nH]n1)c1cccc2ccccc12
InChIInChI=1S/C20H16N4O2/c1-13(15-9-4-7-14-6-2-3-8-16(14)15)21-24-20(25)18-12-17(22-23-18)19-10-5-11-26-19/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyDNOCRCJAMINEQX-UHFFFAOYSA-N
XLogP3.98
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.98
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

5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5395130
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-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135684708
5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6862082
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 110908938
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 124848185
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide (CID 3669463) is 5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide is CC(=NNC(=O)c1cc(-c2ccco2)[nH]n1)c1cccc2ccccc12.
What is the InChIKey of 5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide?
The InChIKey is DNOCRCJAMINEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13(15-9-4-7-14-6-2-3-8-16(14)15)21-24-20(25)18-12-17(22-23-18)19-10-5-11-26-19/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.98, 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-(1-naphthalen-1-ylethylideneamino)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 3669463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).