N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide

C13H20N4O3S — CID 119103049

IUPACN-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCn2nc(C3CC3)cc2C1)S(C)(=O)=O
InChIInChI=1S/C13H20N4O3S/c1-15(21(2,19)20)9-13(18)16-5-6-17-11(8-16)7-12(14-17)10-3-4-10/h7,10H,3-6,8-9H2,1-2H3
InChIKeyOPYAOUAQNKXFBP-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.01
Rot. Bonds4

About N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 119103049) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID119103049
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCn2nc(C3CC3)cc2C1)S(C)(=O)=O
InChIInChI=1S/C13H20N4O3S/c1-15(21(2,19)20)9-13(18)16-5-6-17-11(8-16)7-12(14-17)10-3-4-10/h7,10H,3-6,8-9H2,1-2H3
InChIKeyOPYAOUAQNKXFBP-UHFFFAOYSA-N
XLogP-0.01
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide (CID 119103049) is N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CCn2nc(C3CC3)cc2C1)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is OPYAOUAQNKXFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-15(21(2,19)20)9-13(18)16-5-6-17-11(8-16)7-12(14-17)10-3-4-10/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 312.40 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 119103049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).