5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide

C18H18N4O4 — CID 19466042

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N4O4/c1-11-4-6-15(16(8-11)22(24)25)19-18(23)17-7-5-14(26-17)10-21-13(3)9-12(2)20-21/h4-9H,10H2,1-3H3,(H,19,23)
InChIKeyQEHFMNNNKHLBDD-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.61
Rot. Bonds5

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide (PubChem CID 19466042) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide
PubChem CID19466042
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N4O4/c1-11-4-6-15(16(8-11)22(24)25)19-18(23)17-7-5-14(26-17)10-21-13(3)9-12(2)20-21/h4-9H,10H2,1-3H3,(H,19,23)
InChIKeyQEHFMNNNKHLBDD-UHFFFAOYSA-N
XLogP3.61
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 19454747
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 4770745
sodium 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
CID 19616340
N-cyclopentyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19466000
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19467777
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19466107
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 4694399
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19466120
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19467753
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19466051
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 19463925

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide (CID 19466042) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
The InChIKey is QEHFMNNNKHLBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11-4-6-15(16(8-11)22(24)25)19-18(23)17-7-5-14(26-17)10-21-13(3)9-12(2)20-21/h4-9H,10H2,1-3H3,(H,19,23).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 19466042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).