N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C16H11N5O4 — CID 19463192

IUPACN-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H11N5O4/c17-9-11-8-12(21(23)24)2-4-14(11)19-16(22)15-5-3-13(25-15)10-20-7-1-6-18-20/h1-8H,10H2,(H,19,22)
InChIKeyXLKTUTHYMMDNGN-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.56
Rot. Bonds5

About N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 19463192) has the molecular formula C16H11N5O4 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID19463192
Molecular FormulaC16H11N5O4
Molecular Weight337.30 g/mol
Exact Mass337.08
IUPAC NameN-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H11N5O4/c17-9-11-8-12(21(23)24)2-4-14(11)19-16(22)15-5-3-13(25-15)10-20-7-1-6-18-20/h1-8H,10H2,(H,19,22)
InChIKeyXLKTUTHYMMDNGN-UHFFFAOYSA-N
XLogP2.56
TPSA126.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463215
N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463007
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463175
N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19399657
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463115
N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024539
N-(2-cyano-4-nitrophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280913
N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19408956
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 35334539
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
N-(2-benzoylphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 3404959

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 19463192) is N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is N#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is XLKTUTHYMMDNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O4/c17-9-11-8-12(21(23)24)2-4-14(11)19-16(22)15-5-3-13(25-15)10-20-7-1-6-18-20/h1-8H,10H2,(H,19,22).
What are the key properties of N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 337.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19463192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).