N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

C15H25N5O3S — CID 70776651

IUPACN-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCNC2)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C15H25N5O3S/c21-15(17-6-10-24(22,23)19-7-1-2-8-19)4-3-13-11-14-12-16-5-9-20(14)18-13/h11,16H,1-10,12H2,(H,17,21)
InChIKeyUKDHAPUTGAUZKG-UHFFFAOYSA-N
MW355.46 g/mol
LogP-0.54
Rot. Bonds7

About N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (PubChem CID 70776651) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
PubChem CID70776651
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC NameN-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCNC2)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C15H25N5O3S/c21-15(17-6-10-24(22,23)19-7-1-2-8-19)4-3-13-11-14-12-16-5-9-20(14)18-13/h11,16H,1-10,12H2,(H,17,21)
InChIKeyUKDHAPUTGAUZKG-UHFFFAOYSA-N
XLogP-0.54
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (CID 70776651) is N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is O=C(CCc1cc2n(n1)CCNC2)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The InChIKey is UKDHAPUTGAUZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c21-15(17-6-10-24(22,23)19-7-1-2-8-19)4-3-13-11-14-12-16-5-9-20(14)18-13/h11,16H,1-10,12H2,(H,17,21).
What are the key properties of N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide has a molecular weight of 355.46 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylsulfonylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 70776651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).