2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide

C13H20N4O3S — CID 124782001

IUPAC2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide
SMILESCS(=O)(=O)N1Cc2ccnn2[C@H](CNC(=O)CC2CC2)C1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)16-8-11-4-5-15-17(11)12(9-16)7-14-13(18)6-10-2-3-10/h4-5,10,12H,2-3,6-9H2,1H3,(H,14,18)/t12-/m1/s1
InChIKeyCUMRMTHLTVQFCY-GFCCVEGCSA-N
MW312.39 g/mol
LogP0.12
Rot. Bonds5

About 2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide

2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide (PubChem CID 124782001) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide
PubChem CID124782001
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide
SMILESCS(=O)(=O)N1Cc2ccnn2[C@H](CNC(=O)CC2CC2)C1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)16-8-11-4-5-15-17(11)12(9-16)7-14-13(18)6-10-2-3-10/h4-5,10,12H,2-3,6-9H2,1H3,(H,14,18)/t12-/m1/s1
InChIKeyCUMRMTHLTVQFCY-GFCCVEGCSA-N
XLogP0.12
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide (CID 124782001) is 2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide is CS(=O)(=O)N1Cc2ccnn2[C@H](CNC(=O)CC2CC2)C1.
What is the InChIKey of 2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide?
The InChIKey is CUMRMTHLTVQFCY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-21(19,20)16-8-11-4-5-15-17(11)12(9-16)7-14-13(18)6-10-2-3-10/h4-5,10,12H,2-3,6-9H2,1H3,(H,14,18)/t12-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide?
2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide is sourced from PubChem (CID 124782001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).