2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide

C13H17N7O5 — CID 19283262

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)C(C)n1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H17N7O5/c1-8-6-11(19(22)23)15-17(8)5-4-14-13(21)10(3)18-9(2)7-12(16-18)20(24)25/h6-7,10H,4-5H2,1-3H3,(H,14,21)
InChIKeyFJTAXFLKMCSOID-UHFFFAOYSA-N
MW351.32 g/mol
LogP0.89
Rot. Bonds7

About 2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide

2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide (PubChem CID 19283262) has the molecular formula C13H17N7O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
PubChem CID19283262
Molecular FormulaC13H17N7O5
Molecular Weight351.32 g/mol
Exact Mass351.13
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)C(C)n1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H17N7O5/c1-8-6-11(19(22)23)15-17(8)5-4-14-13(21)10(3)18-9(2)7-12(16-18)20(24)25/h6-7,10H,4-5H2,1-3H3,(H,14,21)
InChIKeyFJTAXFLKMCSOID-UHFFFAOYSA-N
XLogP0.89
TPSA151.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 50.89
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

N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538763
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283212
N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538960
3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283152
2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
CID 17024630
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538903
2-(5-methyl-3-nitropyrazol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 19538908
N-(2,6-dimethylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538729
4-amino-1-methyl-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19620402
N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538770
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19538689
N-[2-(diethylamino)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553643

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide (CID 19283262) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide is Cc1cc([N+](=O)[O-])nn1CCNC(=O)C(C)n1nc([N+](=O)[O-])cc1C.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The InChIKey is FJTAXFLKMCSOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O5/c1-8-6-11(19(22)23)15-17(8)5-4-14-13(21)10(3)18-9(2)7-12(16-18)20(24)25/h6-7,10H,4-5H2,1-3H3,(H,14,21).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide has a molecular weight of 351.32 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 19283262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).