cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol

C11H19N3O — CID 164560023

IUPACcis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol
SMILESCC(C)(C)c1cc(N)nn1[C@H]1CC[C@H]1O
InChIInChI=1S/C11H19N3O/c1-11(2,3)9-6-10(12)13-14(9)7-4-5-8(7)15/h6-8,15H,4-5H2,1-3H3,(H2,12,13)/t7-,8+/m0/s1
InChIKeyDBFQOAAOKQXUFS-JGVFFNPUSA-N
MW209.29 g/mol
LogP1.46
Rot. Bonds1

About cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol

cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol (PubChem CID 164560023) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol
PubChem CID164560023
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Namecis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol
SMILESCC(C)(C)c1cc(N)nn1[C@H]1CC[C@H]1O
InChIInChI=1S/C11H19N3O/c1-11(2,3)9-6-10(12)13-14(9)7-4-5-8(7)15/h6-8,15H,4-5H2,1-3H3,(H2,12,13)/t7-,8+/m0/s1
InChIKeyDBFQOAAOKQXUFS-JGVFFNPUSA-N
XLogP1.46
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)ethan-1-ol
CID 16227877
5-(1,1-Difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-amine
CID 167634039
2-[5-Amino-3-(2-fluoro-1-methylcyclopropyl)-1H-pyrazol-1-yl]ethan-1-ol
CID 130857536
2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyrazol-1-yl]ethan-1-ol
CID 165499685
(R)-3-(tert-Butyl)-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrazol-5-amine
CID 66643147
3-Tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 66643148
3-Tert-butyl-1-(3-methoxypropyl)pyrazol-5-amine
CID 66643301
3-tert-butyl-1-[[(5S)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine
CID 66698361
2-(5-amino-1-methyl-1H-pyrazol-3-yl)-2-methylpropan-1-ol
CID 66968472
(R)-3-tert-butyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrazol-5-amine hydrochloride
CID 67493417
3-Tert-butyl-1-(oxolan-2-ylmethyl)pyrazol-5-amine;hydrochloride
CID 67493419
3-tert-butyl-1-[[(5R)-5-methyloxolan-2-yl]methyl]pyrazol-5-amine
CID 67543844

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol?
The IUPAC name of cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol (CID 164560023) is cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol is CC(C)(C)c1cc(N)nn1[C@H]1CC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol?
The InChIKey is DBFQOAAOKQXUFS-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)9-6-10(12)13-14(9)7-4-5-8(7)15/h6-8,15H,4-5H2,1-3H3,(H2,12,13)/t7-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol?
cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-amino-5-tert-butylpyrazol-1-yl)cyclobutan-1-ol is sourced from PubChem (CID 164560023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).