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

C13H24N4O3S — CID 102826219

IUPAC2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
SMILESCCCCNc1nn(C2CCCC2O)c(N)c1S(C)(=O)=O
InChIInChI=1S/C13H24N4O3S/c1-3-4-8-15-13-11(21(2,19)20)12(14)17(16-13)9-6-5-7-10(9)18/h9-10,18H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyBUZHMWINFNYXOI-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.17
Rot. Bonds6

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

2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol (PubChem CID 102826219) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
PubChem CID102826219
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
SMILESCCCCNc1nn(C2CCCC2O)c(N)c1S(C)(=O)=O
InChIInChI=1S/C13H24N4O3S/c1-3-4-8-15-13-11(21(2,19)20)12(14)17(16-13)9-6-5-7-10(9)18/h9-10,18H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyBUZHMWINFNYXOI-UHFFFAOYSA-N
XLogP1.17
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol (CID 102826219) is 2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol is CCCCNc1nn(C2CCCC2O)c(N)c1S(C)(=O)=O.
What is the InChIKey of 2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol?
The InChIKey is BUZHMWINFNYXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-3-4-8-15-13-11(21(2,19)20)12(14)17(16-13)9-6-5-7-10(9)18/h9-10,18H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol?
2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol has a molecular weight of 316.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(butylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 102826219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).