2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol

C9H17N3O — CID 130641286

IUPAC2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol
SMILESCCn1nc(C)c(C(N)CO)c1C
InChIInChI=1S/C9H17N3O/c1-4-12-7(3)9(6(2)11-12)8(10)5-13/h8,13H,4-5,10H2,1-3H3
InChIKeyBHXNUCOUEPTVRE-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.51
Rot. Bonds3

About 2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol

2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol (PubChem CID 130641286) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol
PubChem CID130641286
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol
SMILESCCn1nc(C)c(C(N)CO)c1C
InChIInChI=1S/C9H17N3O/c1-4-12-7(3)9(6(2)11-12)8(10)5-13/h8,13H,4-5,10H2,1-3H3
InChIKeyBHXNUCOUEPTVRE-UHFFFAOYSA-N
XLogP0.51
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-1-ol
CID 115722851
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293722
[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 107230009
3-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781997
3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 115614299
3-[ethyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]butanoic acid
CID 65060995
1-[3,5-dimethyl-1-(3-methylsulfonylpropyl)pyrazol-4-yl]propan-1-amine
CID 63196222
3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783078
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712818
2-[4-(1-aminopropan-2-yl)-3,5-dimethylpyrazol-1-yl]ethanol
CID 105450996
1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol
CID 62730904
1-ethyl-4-iodo-3,5-dimethylpyrazole
CID 51063680

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol (CID 130641286) is 2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol is CCn1nc(C)c(C(N)CO)c1C.
What is the InChIKey of 2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol?
The InChIKey is BHXNUCOUEPTVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-12-7(3)9(6(2)11-12)8(10)5-13/h8,13H,4-5,10H2,1-3H3.
What are the key properties of 2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol?
2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 130641286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).