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

C11H11N5O3 — CID 708196

IUPACN-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCc1ccnc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1
InChIInChI=1S/C11H11N5O3/c1-8-2-4-12-9(6-8)13-11(17)7-15-5-3-10(14-15)16(18)19/h2-6H,7H2,1H3,(H,12,13,17)
InChIKeyQOORRPSQULBHFV-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.13
Rot. Bonds4

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

N-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 708196) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID708196
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCc1ccnc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1
InChIInChI=1S/C11H11N5O3/c1-8-2-4-12-9(6-8)13-11(17)7-15-5-3-10(14-15)16(18)19/h2-6H,7H2,1H3,(H,12,13,17)
InChIKeyQOORRPSQULBHFV-UHFFFAOYSA-N
XLogP1.13
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.13
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 N-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 708196) is N-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide is Cc1ccnc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is QOORRPSQULBHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-8-2-4-12-9(6-8)13-11(17)7-15-5-3-10(14-15)16(18)19/h2-6H,7H2,1H3,(H,12,13,17).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 261.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 708196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).