N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide

C19H20N4O6 — CID 19340511

IUPACN-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCCOCn1cc(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)cn1
InChIInChI=1S/C19H20N4O6/c1-3-27-12-22-10-14(9-20-22)21-19(24)18-7-5-15(29-18)11-28-17-6-4-13(2)8-16(17)23(25)26/h4-10H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyYXJBBYSRDYNZNO-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.52
Rot. Bonds9

About N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide

N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 19340511) has the molecular formula C19H20N4O6 and a molecular weight of 400.39 g/mol. Its IUPAC name is N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID19340511
Molecular FormulaC19H20N4O6
Molecular Weight400.39 g/mol
Exact Mass400.14
IUPAC NameN-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCCOCn1cc(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)cn1
InChIInChI=1S/C19H20N4O6/c1-3-27-12-22-10-14(9-20-22)21-19(24)18-7-5-15(29-18)11-28-17-6-4-13(2)8-16(17)23(25)26/h4-10H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyYXJBBYSRDYNZNO-UHFFFAOYSA-N
XLogP3.52
TPSA121.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461723
2-ethyl-N-[3-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19461352
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460961
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19574729
N-(4-fluorophenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5067006
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19340567
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19408810
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393403
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19338428
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19292533
N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461349
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19465319

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide (CID 19340511) is N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is CCOCn1cc(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)cn1.
What is the InChIKey of N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is YXJBBYSRDYNZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6/c1-3-27-12-22-10-14(9-20-22)21-19(24)18-7-5-15(29-18)11-28-17-6-4-13(2)8-16(17)23(25)26/h4-10H,3,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19340511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).