1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine

C10H14N4O2 — CID 58465025

IUPAC1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2c([N+](=O)[O-])cnn2C)CC1
InChIInChI=1S/C10H14N4O2/c1-12-5-3-8(4-6-12)10-9(14(15)16)7-11-13(10)2/h3,7H,4-6H2,1-2H3
InChIKeyKROXYXNEJQYLLL-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.05
Rot. Bonds2

About 1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine

1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 58465025) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID58465025
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2c([N+](=O)[O-])cnn2C)CC1
InChIInChI=1S/C10H14N4O2/c1-12-5-3-8(4-6-12)10-9(14(15)16)7-11-13(10)2/h3,7H,4-6H2,1-2H3
InChIKeyKROXYXNEJQYLLL-UHFFFAOYSA-N
XLogP1.05
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.05
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 58465025) is 1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine is CN1CC=C(c2c([N+](=O)[O-])cnn2C)CC1.
What is the InChIKey of 1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is KROXYXNEJQYLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-12-5-3-8(4-6-12)10-9(14(15)16)7-11-13(10)2/h3,7H,4-6H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 222.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methyl-4-nitropyrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 58465025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).