N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

C14H12N4O5 — CID 844754

IUPACN-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1
InChIInChI=1S/C14H12N4O5/c19-14(15-7-11-2-1-5-22-11)13-4-3-12(23-13)9-17-8-10(6-16-17)18(20)21/h1-6,8H,7,9H2,(H,15,19)
InChIKeyRGQZTWKZPUNLEG-UHFFFAOYSA-N
MW316.27 g/mol
LogP1.96
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 844754) has the molecular formula C14H12N4O5 and a molecular weight of 316.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID844754
Molecular FormulaC14H12N4O5
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC NameN-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1
InChIInChI=1S/C14H12N4O5/c19-14(15-7-11-2-1-5-22-11)13-4-3-12(23-13)9-17-8-10(6-16-17)18(20)21/h1-6,8H,7,9H2,(H,15,19)
InChIKeyRGQZTWKZPUNLEG-UHFFFAOYSA-N
XLogP1.96
TPSA116.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 51.96
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-(furan-2-ylmethyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 712057
1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane
CID 844093
N-(2-furylmethyl)-2-{4-nitro-1H-pyrazol-1-yl}acetamide
CID 2983956
N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 5002435
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 4918403
1-({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)-4-(2-furoyl)piperazine
CID 844713
1-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}-4-(2-furoyl)piperazine
CID 3243739
5-[(4-nitropyrazol-1-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 4319123
5-({4-nitro-1H-pyrazol-1-yl}methyl)-N'-(4-propoxybenzylidene)-2-furohydrazide
CID 6873375
5-({4-nitro-1H-pyrazol-1-yl}methyl)-N'-(3-pyridinylmethylene)-2-furohydrazide
CID 6873652
N'-(4-ethoxybenzylidene)-5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furohydrazide
CID 6874448
4-nitro-1-{[5-(1-pyrrolidinylcarbonyl)-2-furyl]methyl}-1H-pyrazole
CID 844629

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (CID 844754) is N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is O=C(NCc1ccco1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is RGQZTWKZPUNLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5/c19-14(15-7-11-2-1-5-22-11)13-4-3-12(23-13)9-17-8-10(6-16-17)18(20)21/h1-6,8H,7,9H2,(H,15,19).
What are the key properties of N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 316.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 844754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).