3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine

C15H20N4O — CID 110132414

IUPAC3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine
SMILESCc1cccc(CN2CCOCC2c2[nH]ncc2C)n1
InChIInChI=1S/C15H20N4O/c1-11-8-16-18-15(11)14-10-20-7-6-19(14)9-13-5-3-4-12(2)17-13/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyDDNUHPVADBUTLK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.00
Rot. Bonds3

About 3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine

3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine (PubChem CID 110132414) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine
PubChem CID110132414
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine
SMILESCc1cccc(CN2CCOCC2c2[nH]ncc2C)n1
InChIInChI=1S/C15H20N4O/c1-11-8-16-18-15(11)14-10-20-7-6-19(14)9-13-5-3-4-12(2)17-13/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyDDNUHPVADBUTLK-UHFFFAOYSA-N
XLogP2.00
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine?
The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine (CID 110132414) is 3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine.
What is the SMILES notation for 3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine?
The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine is Cc1cccc(CN2CCOCC2c2[nH]ncc2C)n1.
What is the InChIKey of 3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine?
The InChIKey is DDNUHPVADBUTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-8-16-18-15(11)14-10-20-7-6-19(14)9-13-5-3-4-12(2)17-13/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine?
3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine has a molecular weight of 272.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-pyrazol-5-yl)-4-[(6-methyl-2-pyridinyl)methyl]morpholine is sourced from PubChem (CID 110132414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).