N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide

C23H20N4O6 — CID 42812033

IUPACN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccco3)c(C)c2Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H20N4O6/c1-15-21(22(28)24-14-18-6-5-13-32-18)25-26(16-9-11-17(31-2)12-10-16)23(15)33-20-8-4-3-7-19(20)27(29)30/h3-13H,14H2,1-2H3,(H,24,28)
InChIKeyFKPANVJQGAJWSF-UHFFFAOYSA-N
MW448.44 g/mol
LogP4.41
Rot. Bonds8

About N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide

N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide (PubChem CID 42812033) has the molecular formula C23H20N4O6 and a molecular weight of 448.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide
PubChem CID42812033
Molecular FormulaC23H20N4O6
Molecular Weight448.44 g/mol
Exact Mass448.14
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccco3)c(C)c2Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H20N4O6/c1-15-21(22(28)24-14-18-6-5-13-32-18)25-26(16-9-11-17(31-2)12-10-16)23(15)33-20-8-4-3-7-19(20)27(29)30/h3-13H,14H2,1-2H3,(H,24,28)
InChIKeyFKPANVJQGAJWSF-UHFFFAOYSA-N
XLogP4.41
TPSA121.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 54.41
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-(furan-2-ylmethyl)-5-[2-(2-methoxyethylsulfamoyl)-4-nitrophenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 83276735
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide
CID 83276648
5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
CID 91634633
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
CID 98441819
N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4597615
5-[2-(furan-2-ylmethylsulfamoyl)-4-[(4-methoxybenzoyl)amino]phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
CID 91635559
N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide
CID 4943832
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)tetrazole-5-carboxamide
CID 71791372
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
CID 98441942
5-[4-(3,3-dimethylbutanoylamino)-2-(furan-2-ylmethylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
CID 83276754
N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473626
3-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4-oxophthalazine-1-carboxamide
CID 3450101

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide (CID 42812033) is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)NCc3ccco3)c(C)c2Oc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide?
The InChIKey is FKPANVJQGAJWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6/c1-15-21(22(28)24-14-18-6-5-13-32-18)25-26(16-9-11-17(31-2)12-10-16)23(15)33-20-8-4-3-7-19(20)27(29)30/h3-13H,14H2,1-2H3,(H,24,28).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide?
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide has a molecular weight of 448.44 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide is sourced from PubChem (CID 42812033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).