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

C17H20N6O4 — CID 19460840

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)n1
InChIInChI=1S/C17H20N6O4/c1-12-8-13(2)22(20-12)7-3-6-18-17(24)16-5-4-15(27-16)11-21-10-14(9-19-21)23(25)26/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,18,24)
InChIKeyZAZGGHUKJHLVPC-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.07
Rot. Bonds8

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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 19460840) has the molecular formula C17H20N6O4 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID19460840
Molecular FormulaC17H20N6O4
Molecular Weight372.39 g/mol
Exact Mass372.15
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)n1
InChIInChI=1S/C17H20N6O4/c1-12-8-13(2)22(20-12)7-3-6-18-17(24)16-5-4-15(27-16)11-21-10-14(9-19-21)23(25)26/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,18,24)
InChIKeyZAZGGHUKJHLVPC-UHFFFAOYSA-N
XLogP2.07
TPSA121.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460848
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide
CID 19293636
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467609
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460936
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467311
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460961
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-nitrobenzamide
CID 87021338
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19459210
N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460858
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 5080991
N-(3-methoxy-5-nitrophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19459182
methyl 4-[[5-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]furan-2-yl]methoxy]benzoate
CID 19293722

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (CID 19460840) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is ZAZGGHUKJHLVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O4/c1-12-8-13(2)22(20-12)7-3-6-18-17(24)16-5-4-15(27-16)11-21-10-14(9-19-21)23(25)26/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,18,24).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19460840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).