3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide

C15H25N5O4 — CID 19575831

IUPAC3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCc1nn(CCC(=O)NC(C)CN2CCOCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H25N5O4/c1-11(10-18-6-8-24-9-7-18)16-14(21)4-5-19-13(3)15(20(22)23)12(2)17-19/h11H,4-10H2,1-3H3,(H,16,21)
InChIKeyDEVIUNJDNMPKFQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.64
Rot. Bonds7

About 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide

3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide (PubChem CID 19575831) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
PubChem CID19575831
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Name3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCc1nn(CCC(=O)NC(C)CN2CCOCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H25N5O4/c1-11(10-18-6-8-24-9-7-18)16-14(21)4-5-19-13(3)15(20(22)23)12(2)17-19/h11H,4-10H2,1-3H3,(H,16,21)
InChIKeyDEVIUNJDNMPKFQ-UHFFFAOYSA-N
XLogP0.64
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
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

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide
CID 28559628
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19557798
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide
CID 19557948
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylethanone
CID 749623
3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
CID 4137846
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484049
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79201322
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 79201323
5-cyclohexyl-4-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]pentanoic acid
CID 122056753
3-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide;dihydrochloride
CID 119851619
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 17020847
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 19557901

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide (CID 19575831) is 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide is Cc1nn(CCC(=O)NC(C)CN2CCOCC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The InChIKey is DEVIUNJDNMPKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-11(10-18-6-8-24-9-7-18)16-14(21)4-5-19-13(3)15(20(22)23)12(2)17-19/h11H,4-10H2,1-3H3,(H,16,21).
What are the key properties of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide is sourced from PubChem (CID 19575831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).