2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol

C7H13N3O — CID 83091814

IUPAC2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)cc1C(N)CO
InChIInChI=1S/C7H13N3O/c1-5-6(7(8)4-11)3-10(2)9-5/h3,7,11H,4,8H2,1-2H3
InChIKeyYKLILAIQRJSRFU-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.28
Rot. Bonds2

About 2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol

2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol (PubChem CID 83091814) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
PubChem CID83091814
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)cc1C(N)CO
InChIInChI=1S/C7H13N3O/c1-5-6(7(8)4-11)3-10(2)9-5/h3,7,11H,4,8H2,1-2H3
InChIKeyYKLILAIQRJSRFU-UHFFFAOYSA-N
XLogP-0.28
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
CID 83089212
ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089708
ethyl 3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089787
1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
CID 102803171
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102804306
2-(2,6-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803154
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 102803970
2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
CID 83088538
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803032
2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803075
2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 65191852

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol (CID 83091814) is 2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol is Cc1nn(C)cc1C(N)CO.
What is the InChIKey of 2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol?
The InChIKey is YKLILAIQRJSRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-6(7(8)4-11)3-10(2)9-5/h3,7,11H,4,8H2,1-2H3.
What are the key properties of 2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol?
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol has a molecular weight of 155.20 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 83091814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).