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

C12H13N5O3 — CID 831686

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide
SMILESCc1nn(CC(=O)Nc2ccncc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H13N5O3/c1-8-12(17(19)20)9(2)16(15-8)7-11(18)14-10-3-5-13-6-4-10/h3-6H,7H2,1-2H3,(H,13,14,18)
InChIKeyWWOHKMNVASVUCU-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.44
Rot. Bonds4

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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide (PubChem CID 831686) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide
PubChem CID831686
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide
SMILESCc1nn(CC(=O)Nc2ccncc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H13N5O3/c1-8-12(17(19)20)9(2)16(15-8)7-11(18)14-10-3-5-13-6-4-10/h3-6H,7H2,1-2H3,(H,13,14,18)
InChIKeyWWOHKMNVASVUCU-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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Related Compounds

N-(6-methylpyridin-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4916122
2,5-dimethyl-4-nitro-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-3-carboxamide
CID 6874504
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 1259244
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(pyridin-2-yl)butanamide
CID 1511624
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 4916148
N-(2-chloropyridin-3-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 4988265
N-(2-chloropyridin-3-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
CID 4988277
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 997550
2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
CID 6879191
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
CID 6889248
1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 649594
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-3-pyridinylacetamide
CID 1257381

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide (CID 831686) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide is Cc1nn(CC(=O)Nc2ccncc2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide?
The InChIKey is WWOHKMNVASVUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-8-12(17(19)20)9(2)16(15-8)7-11(18)14-10-3-5-13-6-4-10/h3-6H,7H2,1-2H3,(H,13,14,18).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide 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-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 831686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).