N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide

C16H24N4O4S — CID 99971957

IUPACN-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
SMILESC[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(CN(C)S(C)(=O)=O)o1)C2
InChIInChI=1S/C16H24N4O4S/c1-12(21)16-8-13-9-19(6-7-20(13)17-16)11-15-5-4-14(24-15)10-18(2)25(3,22)23/h4-5,8,12,21H,6-7,9-11H2,1-3H3/t12-/m1/s1
InChIKeyWRSJHKCAGCSBDW-GFCCVEGCSA-N
MW368.46 g/mol
LogP0.94
Rot. Bonds6

About N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide

N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 99971957) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
PubChem CID99971957
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
SMILESC[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(CN(C)S(C)(=O)=O)o1)C2
InChIInChI=1S/C16H24N4O4S/c1-12(21)16-8-13-9-19(6-7-20(13)17-16)11-15-5-4-14(24-15)10-18(2)25(3,22)23/h4-5,8,12,21H,6-7,9-11H2,1-3H3/t12-/m1/s1
InChIKeyWRSJHKCAGCSBDW-GFCCVEGCSA-N
XLogP0.94
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[(5-propylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90650070
1-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 90651610
(1S)-1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 99975614
1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91778778
2-(dimethylamino)-1-[5-[(5-propylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 91790594
N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 95710542
1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
CID 90653864
3-[5-[(5-chlorothiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
CID 91781680
1-[5-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91796587
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 91769877
3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91779057
1-[5-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91793001

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide (CID 99971957) is N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide is C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(CN(C)S(C)(=O)=O)o1)C2.
What is the InChIKey of N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is WRSJHKCAGCSBDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-12(21)16-8-13-9-19(6-7-20(13)17-16)11-15-5-4-14(24-15)10-18(2)25(3,22)23/h4-5,8,12,21H,6-7,9-11H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 99971957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).