2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol

C13H24N4O — CID 102864919

IUPAC2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol
SMILESCNCc1c(C)nn(C)c1N(CCO)C1CCC1
InChIInChI=1S/C13H24N4O/c1-10-12(9-14-2)13(16(3)15-10)17(7-8-18)11-5-4-6-11/h11,14,18H,4-9H2,1-3H3
InChIKeyREDUQHCBVDKKJZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.80
Rot. Bonds6

About 2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol

2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol (PubChem CID 102864919) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol
PubChem CID102864919
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol
SMILESCNCc1c(C)nn(C)c1N(CCO)C1CCC1
InChIInChI=1S/C13H24N4O/c1-10-12(9-14-2)13(16(3)15-10)17(7-8-18)11-5-4-6-11/h11,14,18H,4-9H2,1-3H3
InChIKeyREDUQHCBVDKKJZ-UHFFFAOYSA-N
XLogP0.80
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol (CID 102864919) is 2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol is CNCc1c(C)nn(C)c1N(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol?
The InChIKey is REDUQHCBVDKKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-12(9-14-2)13(16(3)15-10)17(7-8-18)11-5-4-6-11/h11,14,18H,4-9H2,1-3H3.
What are the key properties of 2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol?
2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol has a molecular weight of 252.36 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol is sourced from PubChem (CID 102864919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).