5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide

C15H12N4O4 — CID 71941563

IUPAC5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H12N4O4/c20-15(13-6-7-14(23-13)19(21)22)16-10-11-2-4-12(5-3-11)18-9-1-8-17-18/h1-9H,10H2,(H,16,20)
InChIKeyQJERQENKUOWNLQ-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.30
Rot. Bonds5

About 5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide

5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide (PubChem CID 71941563) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
PubChem CID71941563
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H12N4O4/c20-15(13-6-7-14(23-13)19(21)22)16-10-11-2-4-12(5-3-11)18-9-1-8-17-18/h1-9H,10H2,(H,16,20)
InChIKeyQJERQENKUOWNLQ-UHFFFAOYSA-N
XLogP2.30
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 46468496
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide
CID 42358565
N-[(3-methylphenyl)methyl]-5-nitrofuran-2-carboxamide
CID 34164755
2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide
CID 17354240
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
N-[(2-bromophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146681
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide
CID 134013897
4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55711340
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55697860

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide (CID 71941563) is 5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The InChIKey is QJERQENKUOWNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c20-15(13-6-7-14(23-13)19(21)22)16-10-11-2-4-12(5-3-11)18-9-1-8-17-18/h1-9H,10H2,(H,16,20).
What are the key properties of 5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 71941563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).