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

C14H19N7O5 — CID 19283212

IUPAC2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)C(C)Cn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C14H19N7O5/c1-9(8-19-11(3)7-13(17-19)21(25)26)14(22)15-4-5-18-10(2)6-12(16-18)20(23)24/h6-7,9H,4-5,8H2,1-3H3,(H,15,22)
InChIKeyXPUYWKSBDRTLHV-UHFFFAOYSA-N
MW365.35 g/mol
LogP0.97
Rot. Bonds8

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

2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide (PubChem CID 19283212) has the molecular formula C14H19N7O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
PubChem CID19283212
Molecular FormulaC14H19N7O5
Molecular Weight365.35 g/mol
Exact Mass365.14
IUPAC Name2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)C(C)Cn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C14H19N7O5/c1-9(8-19-11(3)7-13(17-19)21(25)26)14(22)15-4-5-18-10(2)6-12(16-18)20(23)24/h6-7,9H,4-5,8H2,1-3H3,(H,15,22)
InChIKeyXPUYWKSBDRTLHV-UHFFFAOYSA-N
XLogP0.97
TPSA151.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 50.97
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

2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19568366
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19568316
N-[3-(4-bromopyrazol-1-yl)propyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19297612
3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283152
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 4774933
N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 4774730
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19568324
(2R)-N-(3-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 51390828
2-methyl-N-(4-methyl-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19566686
(2R)-N-(2,5-difluorophenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 51390873
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19283141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide (CID 19283212) is 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-3-(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)Cn1nc([N+](=O)[O-])cc1C.
What is the InChIKey of 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
The InChIKey is XPUYWKSBDRTLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O5/c1-9(8-19-11(3)7-13(17-19)21(25)26)14(22)15-4-5-18-10(2)6-12(16-18)20(23)24/h6-7,9H,4-5,8H2,1-3H3,(H,15,22).
What are the key properties of 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide?
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide has a molecular weight of 365.35 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 19283212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).