2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol

C9H17N3O — CID 83828671

IUPAC2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
SMILESCC(C)(C)c1cc(C(O)CN)[nH]n1
InChIInChI=1S/C9H17N3O/c1-9(2,3)8-4-6(11-12-8)7(13)5-10/h4,7,13H,5,10H2,1-3H3,(H,11,12)
InChIKeyXNFHQXVEMBKNIB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.70
Rot. Bonds2

About 2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol

2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol (PubChem CID 83828671) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
PubChem CID83828671
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
SMILESCC(C)(C)c1cc(C(O)CN)[nH]n1
InChIInChI=1S/C9H17N3O/c1-9(2,3)8-4-6(11-12-8)7(13)5-10/h4,7,13H,5,10H2,1-3H3,(H,11,12)
InChIKeyXNFHQXVEMBKNIB-UHFFFAOYSA-N
XLogP0.70
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid
CID 83831354
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine
CID 83987278
3-tert-butyl-5-[(2R)-3-methylbutan-2-yl]-1H-pyrazole
CID 166904793
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine
CID 83986850
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847144
3-(3-tert-butyl-1H-pyrazol-5-yl)-2-methylpropanoic acid
CID 112710278
3-amino-1-(5-methyl-1H-pyrazol-3-yl)propan-1-ol
CID 82416342
2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987811
3-(2-iodopropan-2-yl)-5-propan-2-yl-1H-pyrazole
CID 153224341
(1R)-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
CID 96742679
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-chloroacetamide
CID 166430893
2-[(3-tert-butyl-1H-pyrazol-5-yl)methylamino]propanenitrile
CID 156892767

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol (CID 83828671) is 2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol is CC(C)(C)c1cc(C(O)CN)[nH]n1.
What is the InChIKey of 2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol?
The InChIKey is XNFHQXVEMBKNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)8-4-6(11-12-8)7(13)5-10/h4,7,13H,5,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol?
2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol is sourced from PubChem (CID 83828671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).