1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol

C12H23N3O — CID 115971884

IUPAC1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC(C)c1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-6-12(4,16)8-13-9(2)11-7-14-15(5)10(11)3/h7,9,13,16H,6,8H2,1-5H3
InChIKeyKEGMBIQLLDEPCM-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.54
Rot. Bonds5

About 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol

1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol (PubChem CID 115971884) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol
PubChem CID115971884
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC(C)c1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-6-12(4,16)8-13-9(2)11-7-14-15(5)10(11)3/h7,9,13,16H,6,8H2,1-5H3
InChIKeyKEGMBIQLLDEPCM-UHFFFAOYSA-N
XLogP1.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6483877
1-(1,5-Dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 17024833
2-[3,5-Dimethyl-4-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 53616949
1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)ethanamine
CID 17024698
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine
CID 75387539
[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86787486
(2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol
CID 164634234
1-[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 59544184
(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 59544188
N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine
CID 90811416
1-[4-Tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
CID 170927504
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol (CID 115971884) is 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol is CCC(C)(O)CNC(C)c1cnn(C)c1C.
What is the InChIKey of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is KEGMBIQLLDEPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-12(4,16)8-13-9(2)11-7-14-15(5)10(11)3/h7,9,13,16H,6,8H2,1-5H3.
What are the key properties of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?
1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 115971884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).