1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine

C15H23N3O — CID 70961449

IUPAC1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine
SMILESCc1cn(C2CCCCO2)nc1C1=CCN(C)CC1
InChIInChI=1S/C15H23N3O/c1-12-11-18(14-5-3-4-10-19-14)16-15(12)13-6-8-17(2)9-7-13/h6,11,14H,3-5,7-10H2,1-2H3
InChIKeyZSPHGAOVGMOKNU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.61
Rot. Bonds2

About 1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine

1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine (PubChem CID 70961449) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine
PubChem CID70961449
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine
SMILESCc1cn(C2CCCCO2)nc1C1=CCN(C)CC1
InChIInChI=1S/C15H23N3O/c1-12-11-18(14-5-3-4-10-19-14)16-15(12)13-6-8-17(2)9-7-13/h6,11,14H,3-5,7-10H2,1-2H3
InChIKeyZSPHGAOVGMOKNU-UHFFFAOYSA-N
XLogP2.61
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine (CID 70961449) is 1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine is Cc1cn(C2CCCCO2)nc1C1=CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine?
The InChIKey is ZSPHGAOVGMOKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-11-18(14-5-3-4-10-19-14)16-15(12)13-6-8-17(2)9-7-13/h6,11,14H,3-5,7-10H2,1-2H3.
What are the key properties of 1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine?
1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine has a molecular weight of 261.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 70961449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).