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

C14H18N4O — CID 110114587

IUPAC4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
SMILESCc1cccc(CN2CCOCC2c2ccn[nH]2)n1
InChIInChI=1S/C14H18N4O/c1-11-3-2-4-12(16-11)9-18-7-8-19-10-14(18)13-5-6-15-17-13/h2-6,14H,7-10H2,1H3,(H,15,17)
InChIKeyACBKMVCHAQVICL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.69
Rot. Bonds3

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

4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine (PubChem CID 110114587) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
PubChem CID110114587
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
SMILESCc1cccc(CN2CCOCC2c2ccn[nH]2)n1
InChIInChI=1S/C14H18N4O/c1-11-3-2-4-12(16-11)9-18-7-8-19-10-14(18)13-5-6-15-17-13/h2-6,14H,7-10H2,1H3,(H,15,17)
InChIKeyACBKMVCHAQVICL-UHFFFAOYSA-N
XLogP1.69
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The IUPAC name of 4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine (CID 110114587) is 4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for 4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The canonical SMILES for 4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine is Cc1cccc(CN2CCOCC2c2ccn[nH]2)n1.
What is the InChIKey of 4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The InChIKey is ACBKMVCHAQVICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-3-2-4-12(16-11)9-18-7-8-19-10-14(18)13-5-6-15-17-13/h2-6,14H,7-10H2,1H3,(H,15,17).
What are the key properties of 4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine has a molecular weight of 258.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 110114587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).