methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate

C13H19N3O2 — CID 167783237

IUPACmethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(Cc2cc(C)nn2C)CC1
InChIInChI=1S/C13H19N3O2/c1-10-8-12(15(2)14-10)9-16-6-4-11(5-7-16)13(17)18-3/h4,8H,5-7,9H2,1-3H3
InChIKeyPDQXWOUYKSZFJW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.03
Rot. Bonds3

About methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate

methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 167783237) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID167783237
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(Cc2cc(C)nn2C)CC1
InChIInChI=1S/C13H19N3O2/c1-10-8-12(15(2)14-10)9-16-6-4-11(5-7-16)13(17)18-3/h4,8H,5-7,9H2,1-3H3
InChIKeyPDQXWOUYKSZFJW-UHFFFAOYSA-N
XLogP1.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate (CID 167783237) is methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate is COC(=O)C1=CCN(Cc2cc(C)nn2C)CC1.
What is the InChIKey of methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is PDQXWOUYKSZFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-8-12(15(2)14-10)9-16-6-4-11(5-7-16)13(17)18-3/h4,8H,5-7,9H2,1-3H3.
What are the key properties of methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate?
methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 167783237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).