(1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol

C9H15N3O — CID 165499325

IUPAC(1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol
SMILESNC[C@H](O)c1cnn(C2CCC2)c1
InChIInChI=1S/C9H15N3O/c10-4-9(13)7-5-11-12(6-7)8-2-1-3-8/h5-6,8-9,13H,1-4,10H2/t9-/m0/s1
InChIKeyUAGJSBXMSJZFRG-VIFPVBQESA-N
MW181.24 g/mol
LogP0.60
Rot. Bonds3

About (1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol

(1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol (PubChem CID 165499325) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol
PubChem CID165499325
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol
SMILESNC[C@H](O)c1cnn(C2CCC2)c1
InChIInChI=1S/C9H15N3O/c10-4-9(13)7-5-11-12(6-7)8-2-1-3-8/h5-6,8-9,13H,1-4,10H2/t9-/m0/s1
InChIKeyUAGJSBXMSJZFRG-VIFPVBQESA-N
XLogP0.60
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764977
1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol
CID 64775504
1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 62727296
(1R)-1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 94575332
1-(1-cycloheptylpyrazol-4-yl)propan-1-amine
CID 82930973
2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine
CID 105483318
1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol
CID 62729829
2-(1-piperidin-4-ylpyrazol-4-yl)propan-1-amine
CID 105462321
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
2-(1-cyclopropylpyrazol-4-yl)butanoic acid
CID 84773136
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
1-cycloheptylpyrazol-4-ol
CID 116799473

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol?
The IUPAC name of (1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol (CID 165499325) is (1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol is NC[C@H](O)c1cnn(C2CCC2)c1.
What is the InChIKey of (1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol?
The InChIKey is UAGJSBXMSJZFRG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15N3O/c10-4-9(13)7-5-11-12(6-7)8-2-1-3-8/h5-6,8-9,13H,1-4,10H2/t9-/m0/s1.
What are the key properties of (1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol?
(1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol is sourced from PubChem (CID 165499325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).