3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide

C13H17N7O5 — CID 19283158

IUPAC3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
SMILESCc1nn(CCC(=O)NCCn2nc([N+](=O)[O-])cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N7O5/c1-9-7-12(20(24)25)16-18(9)6-4-14-13(21)3-5-17-8-11(19(22)23)10(2)15-17/h7-8H,3-6H2,1-2H3,(H,14,21)
InChIKeyPVPJYYYAEVEOAV-UHFFFAOYSA-N
MW351.32 g/mol
LogP0.72
Rot. Bonds8

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

3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide (PubChem CID 19283158) has the molecular formula C13H17N7O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is 3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
PubChem CID19283158
Molecular FormulaC13H17N7O5
Molecular Weight351.32 g/mol
Exact Mass351.13
IUPAC Name3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
SMILESCc1nn(CCC(=O)NCCn2nc([N+](=O)[O-])cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N7O5/c1-9-7-12(20(24)25)16-18(9)6-4-14-13(21)3-5-17-8-11(19(22)23)10(2)15-17/h7-8H,3-6H2,1-2H3,(H,14,21)
InChIKeyPVPJYYYAEVEOAV-UHFFFAOYSA-N
XLogP0.72
TPSA151.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 50.72
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

3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283152
3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide
CID 19539837
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19283141
2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
CID 19283125
N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539994
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
4-amino-1-methyl-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19620402
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283212
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283142
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 19283258
N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19294610

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide (CID 19283158) is 3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide is Cc1nn(CCC(=O)NCCn2nc([N+](=O)[O-])cc2C)cc1[N+](=O)[O-].
What is the InChIKey of 3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The InChIKey is PVPJYYYAEVEOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O5/c1-9-7-12(20(24)25)16-18(9)6-4-14-13(21)3-5-17-8-11(19(22)23)10(2)15-17/h7-8H,3-6H2,1-2H3,(H,14,21).
What are the key properties of 3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide has a molecular weight of 351.32 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 19283158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).