2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol

C14H24N4O2 — CID 77091141

IUPAC2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CC(N2CCOCC2)C1
InChIInChI=1S/C14H24N4O2/c1-12-13(9-18(15-12)2-5-19)8-16-10-14(11-16)17-3-6-20-7-4-17/h9,14,19H,2-8,10-11H2,1H3
InChIKeyMBHJLKWIWGLQJN-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.30
Rot. Bonds5

About 2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol

2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol (PubChem CID 77091141) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol
PubChem CID77091141
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CC(N2CCOCC2)C1
InChIInChI=1S/C14H24N4O2/c1-12-13(9-18(15-12)2-5-19)8-16-10-14(11-16)17-3-6-20-7-4-17/h9,14,19H,2-8,10-11H2,1H3
InChIKeyMBHJLKWIWGLQJN-UHFFFAOYSA-N
XLogP-0.30
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol (CID 77091141) is 2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN1CC(N2CCOCC2)C1.
What is the InChIKey of 2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol?
The InChIKey is MBHJLKWIWGLQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-12-13(9-18(15-12)2-5-19)8-16-10-14(11-16)17-3-6-20-7-4-17/h9,14,19H,2-8,10-11H2,1H3.
What are the key properties of 2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol?
2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol has a molecular weight of 280.37 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 77091141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).