2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

C13H15N5O3 — CID 1258199

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)NCc2ccccn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H15N5O3/c1-9-13(18(20)21)10(2)17(16-9)8-12(19)15-7-11-5-3-4-6-14-11/h3-6H,7-8H2,1-2H3,(H,15,19)
InChIKeyHRKFATHCMSODLF-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.12
Rot. Bonds5

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 1258199) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID1258199
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)NCc2ccccn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H15N5O3/c1-9-13(18(20)21)10(2)17(16-9)8-12(19)15-7-11-5-3-4-6-14-11/h3-6H,7-8H2,1-2H3,(H,15,19)
InChIKeyHRKFATHCMSODLF-UHFFFAOYSA-N
XLogP1.12
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
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

CID 4916122
CID 4916122
CID 6874504
CID 6874504
CID 1259244
CID 1259244
CID 1511624
CID 1511624
CID 4916148
CID 4916148
CID 4988265
CID 4988265
CID 4988277
CID 4988277
CID 997550
CID 997550
CID 6879191
CID 6879191
CID 6889248
CID 6889248
CID 2983141
CID 2983141
CID 649594
CID 649594

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 1258199) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1nn(CC(=O)NCc2ccccn2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is HRKFATHCMSODLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9-13(18(20)21)10(2)17(16-9)8-12(19)15-7-11-5-3-4-6-14-11/h3-6H,7-8H2,1-2H3,(H,15,19).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 289.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 1258199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).