3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol

C11H21N3O — CID 82693019

IUPAC3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol
SMILESCCc1cc(CC)n(C(CO)C(C)N)n1
InChIInChI=1S/C11H21N3O/c1-4-9-6-10(5-2)14(13-9)11(7-15)8(3)12/h6,8,11,15H,4-5,7,12H2,1-3H3
InChIKeyNCVYYLNIZCEDML-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.89
Rot. Bonds5

About 3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol

3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol (PubChem CID 82693019) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol
PubChem CID82693019
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol
SMILESCCc1cc(CC)n(C(CO)C(C)N)n1
InChIInChI=1S/C11H21N3O/c1-4-9-6-10(5-2)14(13-9)11(7-15)8(3)12/h6,8,11,15H,4-5,7,12H2,1-3H3
InChIKeyNCVYYLNIZCEDML-UHFFFAOYSA-N
XLogP0.89
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779
2-(3,5-diethylpyrazol-1-yl)propanehydrazide
CID 82699658
1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 82692543
1-(3,5-diethylpyrazol-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 82693461
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 82692322
N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
CID 82694409
2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide
CID 82695392
(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694547
1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol?
The IUPAC name of 3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol (CID 82693019) is 3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol.
What is the SMILES notation for 3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol?
The canonical SMILES for 3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol is CCc1cc(CC)n(C(CO)C(C)N)n1.
What is the InChIKey of 3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol?
The InChIKey is NCVYYLNIZCEDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-9-6-10(5-2)14(13-9)11(7-15)8(3)12/h6,8,11,15H,4-5,7,12H2,1-3H3.
What are the key properties of 3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol?
3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol is sourced from PubChem (CID 82693019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).