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

C13H17N7O5 — CID 19283152

IUPAC3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)CCn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H17N7O5/c1-9-7-11(19(22)23)15-17(9)5-3-13(21)14-4-6-18-10(2)8-12(16-18)20(24)25/h7-8H,3-6H2,1-2H3,(H,14,21)
InChIKeyRTNDNMKWFKSLSK-UHFFFAOYSA-N
MW351.32 g/mol
LogP0.72
Rot. Bonds8

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

3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide (PubChem CID 19283152) has the molecular formula C13H17N7O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is 3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
PubChem CID19283152
Molecular FormulaC13H17N7O5
Molecular Weight351.32 g/mol
Exact Mass351.13
IUPAC Name3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)CCn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H17N7O5/c1-9-7-11(19(22)23)15-17(9)5-3-13(21)14-4-6-18-10(2)8-12(16-18)20(24)25/h7-8H,3-6H2,1-2H3,(H,14,21)
InChIKeyRTNDNMKWFKSLSK-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

N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19283141
3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283158
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283142
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283212
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262
2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
CID 19283125
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 19283258
4-amino-1-methyl-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19620402
4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoic acid
CID 19583503
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541940
1-(3-chlorophenyl)-3-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]urea
CID 19283635
3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 6210816

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide (CID 19283152) is 3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide is Cc1cc([N+](=O)[O-])nn1CCNC(=O)CCn1nc([N+](=O)[O-])cc1C.
What is the InChIKey of 3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The InChIKey is RTNDNMKWFKSLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O5/c1-9-7-11(19(22)23)15-17(9)5-3-13(21)14-4-6-18-10(2)8-12(16-18)20(24)25/h7-8H,3-6H2,1-2H3,(H,14,21).
What are the key properties of 3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
3-(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 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 19283152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).