5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine

C11H15N3O — CID 175897438

IUPAC5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine
SMILESCOC1=NC=C(c2cc(C)nn2C)CC1
InChIInChI=1S/C11H15N3O/c1-8-6-10(14(2)13-8)9-4-5-11(15-3)12-7-9/h6-7H,4-5H2,1-3H3
InChIKeyMNAKIRSUHRHZIN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds1

About 5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine

5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine (PubChem CID 175897438) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine
PubChem CID175897438
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine
SMILESCOC1=NC=C(c2cc(C)nn2C)CC1
InChIInChI=1S/C11H15N3O/c1-8-6-10(14(2)13-8)9-4-5-11(15-3)12-7-9/h6-7H,4-5H2,1-3H3
InChIKeyMNAKIRSUHRHZIN-UHFFFAOYSA-N
XLogP1.91
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine (CID 175897438) is 5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine is COC1=NC=C(c2cc(C)nn2C)CC1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine?
The InChIKey is MNAKIRSUHRHZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-6-10(14(2)13-8)9-4-5-11(15-3)12-7-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine?
5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine has a molecular weight of 205.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine is sourced from PubChem (CID 175897438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).