N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide

C12H16N4O2S — CID 91629180

IUPACN-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide
SMILESO=S(=O)(Nc1cnc2ccnn2c1)C1CCCCC1
InChIInChI=1S/C12H16N4O2S/c17-19(18,11-4-2-1-3-5-11)15-10-8-13-12-6-7-14-16(12)9-10/h6-9,11,15H,1-5H2
InChIKeyQSYBBRLYPUZEOO-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.80
Rot. Bonds3

About N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide

N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide (PubChem CID 91629180) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide
PubChem CID91629180
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide
SMILESO=S(=O)(Nc1cnc2ccnn2c1)C1CCCCC1
InChIInChI=1S/C12H16N4O2S/c17-19(18,11-4-2-1-3-5-11)15-10-8-13-12-6-7-14-16(12)9-10/h6-9,11,15H,1-5H2
InChIKeyQSYBBRLYPUZEOO-UHFFFAOYSA-N
XLogP1.80
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide?
The IUPAC name of N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide (CID 91629180) is N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide.
What is the SMILES notation for N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide?
The canonical SMILES for N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide is O=S(=O)(Nc1cnc2ccnn2c1)C1CCCCC1.
What is the InChIKey of N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide?
The InChIKey is QSYBBRLYPUZEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c17-19(18,11-4-2-1-3-5-11)15-10-8-13-12-6-7-14-16(12)9-10/h6-9,11,15H,1-5H2.
What are the key properties of N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide?
N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexanesulfonamide is sourced from PubChem (CID 91629180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).