2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C15H25N5O4 — CID 34521131

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)(C)N2CCOCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H25N5O4/c1-11-14(20(22)23)12(2)19(17-11)9-13(21)16-10-15(3,4)18-5-7-24-8-6-18/h5-10H2,1-4H3,(H,16,21)
InChIKeyCNDWRRVPRSFTAH-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.64
Rot. Bonds6

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 34521131) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID34521131
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)(C)N2CCOCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H25N5O4/c1-11-14(20(22)23)12(2)19(17-11)9-13(21)16-10-15(3,4)18-5-7-24-8-6-18/h5-10H2,1-4H3,(H,16,21)
InChIKeyCNDWRRVPRSFTAH-UHFFFAOYSA-N
XLogP0.64
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylethanone
CID 749623
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956587
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxypropyl)acetamide
CID 43390149
2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 19530085
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19515729
N-(tert-butylcarbamoyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 7277722
1-(azocan-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 40753587
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770858
2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 9395553
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-ethoxypropyl)acetamide
CID 19515867
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 34521131) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is Cc1nn(CC(=O)NCC(C)(C)N2CCOCC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is CNDWRRVPRSFTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-11-14(20(22)23)12(2)19(17-11)9-13(21)16-10-15(3,4)18-5-7-24-8-6-18/h5-10H2,1-4H3,(H,16,21).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 34521131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).