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

C18H17N5O7 — CID 19283093

IUPACN-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H17N5O7/c1-12-10-17(23(27)28)20-21(12)9-8-19-18(24)16-7-6-15(30-16)11-29-14-4-2-13(3-5-14)22(25)26/h2-7,10H,8-9,11H2,1H3,(H,19,24)
InChIKeyNYHMWWAHUGQLCS-UHFFFAOYSA-N
MW415.36 g/mol
LogP2.61
Rot. Bonds9

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

N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 19283093) has the molecular formula C18H17N5O7 and a molecular weight of 415.36 g/mol. Its IUPAC name is N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID19283093
Molecular FormulaC18H17N5O7
Molecular Weight415.36 g/mol
Exact Mass415.11
IUPAC NameN-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H17N5O7/c1-12-10-17(23(27)28)20-21(12)9-8-19-18(24)16-7-6-15(30-16)11-29-14-4-2-13(3-5-14)22(25)26/h2-7,10H,8-9,11H2,1H3,(H,19,24)
InChIKeyNYHMWWAHUGQLCS-UHFFFAOYSA-N
XLogP2.61
TPSA155.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-acetylphenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283169
5-[(2,4-difluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 4865246
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19283034
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19295675
N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19282065
N-[3-(4-methylpyrazol-1-yl)propyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19328019
5-[(4-acetylphenoxy)methyl]-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19282070
N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19281979
N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19337498
N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19281973
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19571719
5-[(3-methyl-4-nitrophenoxy)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-2-carboxamide
CID 19295736

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide (CID 19283093) is N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide is Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is NYHMWWAHUGQLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O7/c1-12-10-17(23(27)28)20-21(12)9-8-19-18(24)16-7-6-15(30-16)11-29-14-4-2-13(3-5-14)22(25)26/h2-7,10H,8-9,11H2,1H3,(H,19,24).
What are the key properties of N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 415.36 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19283093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).