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

C12H13N5O3 — CID 1257542

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)Cn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H13N5O3/c1-8-4-3-5-13-12(8)14-11(18)7-16-9(2)6-10(15-16)17(19)20/h3-6H,7H2,1-2H3,(H,13,14,18)
InChIKeyVUEKFOYWKADNSY-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.44
Rot. Bonds4

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

2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide (PubChem CID 1257542) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
PubChem CID1257542
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)Cn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H13N5O3/c1-8-4-3-5-13-12(8)14-11(18)7-16-9(2)6-10(15-16)17(19)20/h3-6H,7H2,1-2H3,(H,13,14,18)
InChIKeyVUEKFOYWKADNSY-UHFFFAOYSA-N
XLogP1.44
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.44
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-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide (CID 1257542) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1NC(=O)Cn1nc([N+](=O)[O-])cc1C.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is VUEKFOYWKADNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-8-4-3-5-13-12(8)14-11(18)7-16-9(2)6-10(15-16)17(19)20/h3-6H,7H2,1-2H3,(H,13,14,18).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 275.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 1257542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).