N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide

C13H17FN6O2S — CID 131640346

IUPACN-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CN(c2ncc(F)cn2)Cc2ccnn21
InChIInChI=1S/C13H17FN6O2S/c1-23(21,22)18-5-3-12-9-19(8-11-2-4-17-20(11)12)13-15-6-10(14)7-16-13/h2,4,6-7,12,18H,3,5,8-9H2,1H3
InChIKeyCAGKJJPNTCZNNC-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.31
Rot. Bonds5

About N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide

N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide (PubChem CID 131640346) has the molecular formula C13H17FN6O2S and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
PubChem CID131640346
Molecular FormulaC13H17FN6O2S
Molecular Weight340.38 g/mol
Exact Mass340.11
IUPAC NameN-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CN(c2ncc(F)cn2)Cc2ccnn21
InChIInChI=1S/C13H17FN6O2S/c1-23(21,22)18-5-3-12-9-19(8-11-2-4-17-20(11)12)13-15-6-10(14)7-16-13/h2,4,6-7,12,18H,3,5,8-9H2,1H3
InChIKeyCAGKJJPNTCZNNC-UHFFFAOYSA-N
XLogP0.31
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide (CID 131640346) is N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CN(c2ncc(F)cn2)Cc2ccnn21.
What is the InChIKey of N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?
The InChIKey is CAGKJJPNTCZNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6O2S/c1-23(21,22)18-5-3-12-9-19(8-11-2-4-17-20(11)12)13-15-6-10(14)7-16-13/h2,4,6-7,12,18H,3,5,8-9H2,1H3.
What are the key properties of N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?
N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide has a molecular weight of 340.38 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 131640346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).