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

C17H16N4O5 — CID 19346038

IUPACN-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C17H16N4O5/c1-11-13(9-20(2)19-11)18-17(22)16-8-7-12(26-16)10-25-15-6-4-3-5-14(15)21(23)24/h3-9H,10H2,1-2H3,(H,18,22)
InChIKeyYCDZJSFNRCANNG-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.06
Rot. Bonds6

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

N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 19346038) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID19346038
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C17H16N4O5/c1-11-13(9-20(2)19-11)18-17(22)16-8-7-12(26-16)10-25-15-6-4-3-5-14(15)21(23)24/h3-9H,10H2,1-2H3,(H,18,22)
InChIKeyYCDZJSFNRCANNG-UHFFFAOYSA-N
XLogP3.06
TPSA112.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.06
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-(1,3-dimethylpyrazol-4-yl)-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19346174
5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19446371
1-methyl-N-(2-methylpropyl)-4-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 17024108
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19400656
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19295432
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393403
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19285025
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19405211
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19335135
4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19467688
5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63568555
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446422

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide (CID 19346038) is N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide is Cc1nn(C)cc1NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is YCDZJSFNRCANNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-11-13(9-20(2)19-11)18-17(22)16-8-7-12(26-16)10-25-15-6-4-3-5-14(15)21(23)24/h3-9H,10H2,1-2H3,(H,18,22).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 356.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19346038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).