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

C14H23N5O3 — CID 120575298

IUPAC3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCc1nn(CCC(=O)NC2CCCNC2C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H23N5O3/c1-9-12(5-4-7-15-9)16-13(20)6-8-18-11(3)14(19(21)22)10(2)17-18/h9,12,15H,4-8H2,1-3H3,(H,16,20)
InChIKeyICHIZOBKBGGNBO-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.05
Rot. Bonds5

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

3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120575298) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120575298
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCc1nn(CCC(=O)NC2CCCNC2C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H23N5O3/c1-9-12(5-4-7-15-9)16-13(20)6-8-18-11(3)14(19(21)22)10(2)17-18/h9,12,15H,4-8H2,1-3H3,(H,16,20)
InChIKeyICHIZOBKBGGNBO-UHFFFAOYSA-N
XLogP1.05
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7277769
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide
CID 19557948
2-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120545195
3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
CID 4137846
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 17020847
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9110458
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 102554514
N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 120575393
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576385
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493827
5-cyclohexyl-4-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]pentanoic acid
CID 122056753
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-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide (CID 120575298) is 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide is Cc1nn(CCC(=O)NC2CCCNC2C)c(C)c1[N+](=O)[O-].
What is the InChIKey of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is ICHIZOBKBGGNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-9-12(5-4-7-15-9)16-13(20)6-8-18-11(3)14(19(21)22)10(2)17-18/h9,12,15H,4-8H2,1-3H3,(H,16,20).
What are the key properties of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide?
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120575298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).