2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol

C13H18N4O — CID 64828655

IUPAC2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1cccc(CNCc2cnn(CCO)c2)n1
InChIInChI=1S/C13H18N4O/c1-11-3-2-4-13(16-11)9-14-7-12-8-15-17(10-12)5-6-18/h2-4,8,10,14,18H,5-7,9H2,1H3
InChIKeyFMTQKNKHENTASZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.87
Rot. Bonds6

About 2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64828655) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64828655
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1cccc(CNCc2cnn(CCO)c2)n1
InChIInChI=1S/C13H18N4O/c1-11-3-2-4-13(16-11)9-14-7-12-8-15-17(10-12)5-6-18/h2-4,8,10,14,18H,5-7,9H2,1H3
InChIKeyFMTQKNKHENTASZ-UHFFFAOYSA-N
XLogP0.87
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol (CID 64828655) is 2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol is Cc1cccc(CNCc2cnn(CCO)c2)n1.
What is the InChIKey of 2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is FMTQKNKHENTASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-11-3-2-4-13(16-11)9-14-7-12-8-15-17(10-12)5-6-18/h2-4,8,10,14,18H,5-7,9H2,1H3.
What are the key properties of 2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64828655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).