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

C13H29N3O — CID 170618129

IUPAC2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane
SMILESCC.CC.CNCc1nn(CCO)c(C)c1C
InChIInChI=1S/C9H17N3O.2C2H6/c1-7-8(2)12(4-5-13)11-9(7)6-10-3;2*1-2/h10,13H,4-6H2,1-3H3;2*1-2H3
InChIKeyMBGPQQFEQKOJDV-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.26
Rot. Bonds4

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

2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane (PubChem CID 170618129) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane.

Molecular Properties

Compound Name2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane
PubChem CID170618129
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane
SMILESCC.CC.CNCc1nn(CCO)c(C)c1C
InChIInChI=1S/C9H17N3O.2C2H6/c1-7-8(2)12(4-5-13)11-9(7)6-10-3;2*1-2/h10,13H,4-6H2,1-3H3;2*1-2H3
InChIKeyMBGPQQFEQKOJDV-UHFFFAOYSA-N
XLogP2.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
Sbb010340
CID 6492580
2-amino-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 16767727
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
CID 19620896
pentyl[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 28612057
(2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 42281907
2-amino-2-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 43810991
[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride hydrate
CID 50944252
2-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005867
3-{ethyl[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}propane-1,2-diol
CID 46988918

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane?
The IUPAC name of 2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane (CID 170618129) is 2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane.
What is the SMILES notation for 2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane?
The canonical SMILES for 2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane is CC.CC.CNCc1nn(CCO)c(C)c1C.
What is the InChIKey of 2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane?
The InChIKey is MBGPQQFEQKOJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.2C2H6/c1-7-8(2)12(4-5-13)11-9(7)6-10-3;2*1-2/h10,13H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of 2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane?
2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane has a molecular weight of 243.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-3-(methylaminomethyl)pyrazol-1-yl]ethanol;ethane is sourced from PubChem (CID 170618129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).