2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine

C11H12N4O2 — CID 139912436

IUPAC2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine
SMILESCCc1c([N+](=O)[O-])cnn1Cc1ccccn1
InChIInChI=1S/C11H12N4O2/c1-2-10-11(15(16)17)7-13-14(10)8-9-5-3-4-6-12-9/h3-7H,2,8H2,1H3
InChIKeyKRQMXJNANATQQX-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.80
Rot. Bonds4

About 2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine

2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine (PubChem CID 139912436) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine
PubChem CID139912436
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine
SMILESCCc1c([N+](=O)[O-])cnn1Cc1ccccn1
InChIInChI=1S/C11H12N4O2/c1-2-10-11(15(16)17)7-13-14(10)8-9-5-3-4-6-12-9/h3-7H,2,8H2,1H3
InChIKeyKRQMXJNANATQQX-UHFFFAOYSA-N
XLogP1.80
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-ethyl-1-methyl-4-nitropyrazole
CID 154882110
1-(cyclopropylmethyl)-5-ethyl-4-nitropyrazole
CID 139947434
2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione
CID 71390982
5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine
CID 71861591
2-[(5-bromo-2-nitrophenyl)methyl]pyridine
CID 158574043
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 6736317
N-methyl-3-nitro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 55447351
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
1-(2-chloro-5-methyl-4-nitrophenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 133330963

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine (CID 139912436) is 2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine is CCc1c([N+](=O)[O-])cnn1Cc1ccccn1.
What is the InChIKey of 2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine?
The InChIKey is KRQMXJNANATQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-10-11(15(16)17)7-13-14(10)8-9-5-3-4-6-12-9/h3-7H,2,8H2,1H3.
What are the key properties of 2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine?
2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine has a molecular weight of 232.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-4-nitropyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 139912436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).