2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol

C8H15N3O — CID 115879591

IUPAC2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol
SMILESCc1cc(CN(C)CCO)n[nH]1
InChIInChI=1S/C8H15N3O/c1-7-5-8(10-9-7)6-11(2)3-4-12/h5,12H,3-4,6H2,1-2H3,(H,9,10)
InChIKeyLKUQMPYFYWSFAR-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.14
Rot. Bonds4

About 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol

2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol (PubChem CID 115879591) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol
PubChem CID115879591
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol
SMILESCc1cc(CN(C)CCO)n[nH]1
InChIInChI=1S/C8H15N3O/c1-7-5-8(10-9-7)6-11(2)3-4-12/h5,12H,3-4,6H2,1-2H3,(H,9,10)
InChIKeyLKUQMPYFYWSFAR-UHFFFAOYSA-N
XLogP0.14
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol (CID 115879591) is 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol is Cc1cc(CN(C)CCO)n[nH]1.
What is the InChIKey of 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol?
The InChIKey is LKUQMPYFYWSFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7-5-8(10-9-7)6-11(2)3-4-12/h5,12H,3-4,6H2,1-2H3,(H,9,10).
What are the key properties of 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol?
2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol has a molecular weight of 169.23 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 115879591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).