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

C13H15N5O3 — CID 742456

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C13H15N5O3/c1-8-5-4-6-14-13(8)15-11(19)7-17-10(3)12(18(20)21)9(2)16-17/h4-6H,7H2,1-3H3,(H,14,15,19)
InChIKeyWLNCPPNQUCBZBQ-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.75
Rot. Bonds4

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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide (PubChem CID 742456) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
PubChem CID742456
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C13H15N5O3/c1-8-5-4-6-14-13(8)15-11(19)7-17-10(3)12(18(20)21)9(2)16-17/h4-6H,7H2,1-3H3,(H,14,15,19)
InChIKeyWLNCPPNQUCBZBQ-UHFFFAOYSA-N
XLogP1.75
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.75
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide (CID 742456) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is WLNCPPNQUCBZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-5-4-6-14-13(8)15-11(19)7-17-10(3)12(18(20)21)9(2)16-17/h4-6H,7H2,1-3H3,(H,14,15,19).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 289.30 g/mol, XLogP of 1.75, 4 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-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 742456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).