5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine

C12H17N3O — CID 175897537

IUPAC5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine
SMILESCCn1nc(C)cc1C1=CN=C(OC)CC1
InChIInChI=1S/C12H17N3O/c1-4-15-11(7-9(2)14-15)10-5-6-12(16-3)13-8-10/h7-8H,4-6H2,1-3H3
InChIKeyVTGYGHYPLIXEFN-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.39
Rot. Bonds2

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

5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine (PubChem CID 175897537) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine.

Molecular Properties

Compound Name5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine
PubChem CID175897537
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine
SMILESCCn1nc(C)cc1C1=CN=C(OC)CC1
InChIInChI=1S/C12H17N3O/c1-4-15-11(7-9(2)14-15)10-5-6-12(16-3)13-8-10/h7-8H,4-6H2,1-3H3
InChIKeyVTGYGHYPLIXEFN-UHFFFAOYSA-N
XLogP2.39
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine?
The IUPAC name of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine (CID 175897537) is 5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine.
What is the SMILES notation for 5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine?
The canonical SMILES for 5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine is CCn1nc(C)cc1C1=CN=C(OC)CC1.
What is the InChIKey of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine?
The InChIKey is VTGYGHYPLIXEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-15-11(7-9(2)14-15)10-5-6-12(16-3)13-8-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine?
5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine has a molecular weight of 219.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine is sourced from PubChem (CID 175897537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).