2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol

C12H24N4O — CID 64830339

IUPAC2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCN(C)C(C)(C)CNCc1cnn(CCO)c1
InChIInChI=1S/C12H24N4O/c1-12(2,15(3)4)10-13-7-11-8-14-16(9-11)5-6-17/h8-9,13,17H,5-7,10H2,1-4H3
InChIKeyYKQWWSMXTUZGIS-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.31
Rot. Bonds7

About 2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol

2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64830339) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol
PubChem CID64830339
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCN(C)C(C)(C)CNCc1cnn(CCO)c1
InChIInChI=1S/C12H24N4O/c1-12(2,15(3)4)10-13-7-11-8-14-16(9-11)5-6-17/h8-9,13,17H,5-7,10H2,1-4H3
InChIKeyYKQWWSMXTUZGIS-UHFFFAOYSA-N
XLogP0.31
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830214
tert-butyl N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
CID 107241305
2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115656313
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 64828582
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol
CID 113365773
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 63962764
2-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 65246331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol (CID 64830339) is 2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol is CN(C)C(C)(C)CNCc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is YKQWWSMXTUZGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-12(2,15(3)4)10-13-7-11-8-14-16(9-11)5-6-17/h8-9,13,17H,5-7,10H2,1-4H3.
What are the key properties of 2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 240.35 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).