2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol

C13H22N4O3S — CID 102826212

IUPAC2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
SMILESCS(=O)(=O)c1c(NC2CCC2)nn(C2CCCC2O)c1N
InChIInChI=1S/C13H22N4O3S/c1-21(19,20)11-12(14)17(9-6-3-7-10(9)18)16-13(11)15-8-4-2-5-8/h8-10,18H,2-7,14H2,1H3,(H,15,16)
InChIKeyKYSUAFPEHKUKRK-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.92
Rot. Bonds4

About 2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol

2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol (PubChem CID 102826212) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
PubChem CID102826212
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
SMILESCS(=O)(=O)c1c(NC2CCC2)nn(C2CCCC2O)c1N
InChIInChI=1S/C13H22N4O3S/c1-21(19,20)11-12(14)17(9-6-3-7-10(9)18)16-13(11)15-8-4-2-5-8/h8-10,18H,2-7,14H2,1H3,(H,15,16)
InChIKeyKYSUAFPEHKUKRK-UHFFFAOYSA-N
XLogP0.92
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol (CID 102826212) is 2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol is CS(=O)(=O)c1c(NC2CCC2)nn(C2CCCC2O)c1N.
What is the InChIKey of 2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol?
The InChIKey is KYSUAFPEHKUKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-21(19,20)11-12(14)17(9-6-3-7-10(9)18)16-13(11)15-8-4-2-5-8/h8-10,18H,2-7,14H2,1H3,(H,15,16).
What are the key properties of 2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol?
2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol has a molecular weight of 314.41 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 102826212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).