N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

C16H14N4O5 — CID 832012

IUPACN-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1
InChIInChI=1S/C16H14N4O5/c1-24-13-4-2-3-11(7-13)18-16(21)15-6-5-14(25-15)10-19-9-12(8-17-19)20(22)23/h2-9H,10H2,1H3,(H,18,21)
InChIKeyBDSOPECASMENNW-UHFFFAOYSA-N
MW342.31 g/mol
LogP2.69
Rot. Bonds6

About N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 832012) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID832012
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC NameN-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1
InChIInChI=1S/C16H14N4O5/c1-24-13-4-2-3-11(7-13)18-16(21)15-6-5-14(25-15)10-19-9-12(8-17-19)20(22)23/h2-9H,10H2,1H3,(H,18,21)
InChIKeyBDSOPECASMENNW-UHFFFAOYSA-N
XLogP2.69
TPSA112.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.69
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

1-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]azepane
CID 844093
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 2983956
N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 5002435
N-(2-furylmethyl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4918403
[5-[(3,5-Dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 998489
methyl 3-{[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]amino}-4-methylbenzoate
CID 1225366
1-methyl-4-nitro-N-(3-nitro-5-phenoxyphenyl)pyrazole-3-carboxamide
CID 3115023
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-nitropyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
CID 6873652
N-[(E)-(4-ethoxyphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 6874448
N'-(2,5-dimethoxybenzylidene)-5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furohydrazide
CID 6874503

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (CID 832012) is N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is COc1cccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is BDSOPECASMENNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-24-13-4-2-3-11(7-13)18-16(21)15-6-5-14(25-15)10-19-9-12(8-17-19)20(22)23/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 342.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 832012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).