2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide

C13H12F3N5O3 — CID 5011161

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C(F)(F)F)cn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H12F3N5O3/c1-7-12(21(23)24)8(2)20(19-7)6-11(22)18-10-4-3-9(5-17-10)13(14,15)16/h3-5H,6H2,1-2H3,(H,17,18,22)
InChIKeyUULMUNXKYQPIHP-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.46
Rot. Bonds4

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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 5011161) has the molecular formula C13H12F3N5O3 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID5011161
Molecular FormulaC13H12F3N5O3
Molecular Weight343.27 g/mol
Exact Mass343.09
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C(F)(F)F)cn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H12F3N5O3/c1-7-12(21(23)24)8(2)20(19-7)6-11(22)18-10-4-3-9(5-17-10)13(14,15)16/h3-5H,6H2,1-2H3,(H,17,18,22)
InChIKeyUULMUNXKYQPIHP-UHFFFAOYSA-N
XLogP2.46
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.46
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'}

Analyze 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 5011161) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is Cc1nn(CC(=O)Nc2ccc(C(F)(F)F)cn2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is UULMUNXKYQPIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O3/c1-7-12(21(23)24)8(2)20(19-7)6-11(22)18-10-4-3-9(5-17-10)13(14,15)16/h3-5H,6H2,1-2H3,(H,17,18,22).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 343.27 g/mol, XLogP of 2.46, 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-[5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 5011161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).