3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide

C17H28N4O3S — CID 72909803

IUPAC3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide
SMILESCSCCC(O)C(=O)N1CCn2nc(CCC(=O)NC(C)C)cc2C1
InChIInChI=1S/C17H28N4O3S/c1-12(2)18-16(23)5-4-13-10-14-11-20(7-8-21(14)19-13)17(24)15(22)6-9-25-3/h10,12,15,22H,4-9,11H2,1-3H3,(H,18,23)
InChIKeyHOEHOCAVBRKSIS-UHFFFAOYSA-N
MW368.50 g/mol
LogP0.80
Rot. Bonds8

About 3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide

3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide (PubChem CID 72909803) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide
PubChem CID72909803
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide
SMILESCSCCC(O)C(=O)N1CCn2nc(CCC(=O)NC(C)C)cc2C1
InChIInChI=1S/C17H28N4O3S/c1-12(2)18-16(23)5-4-13-10-14-11-20(7-8-21(14)19-13)17(24)15(22)6-9-25-3/h10,12,15,22H,4-9,11H2,1-3H3,(H,18,23)
InChIKeyHOEHOCAVBRKSIS-UHFFFAOYSA-N
XLogP0.80
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 96574599
(2R)-2-amino-1-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 72883225
3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide
CID 72856640
3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 95714424
N,N-dimethyl-2-[(3-methylsulfanylpropanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70780461
N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72863618
N-cyclopropyl-3-[5-(2-ethoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72845562
3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56896836
3-[5-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 95729443
N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]thiomorpholine-4-carboxamide
CID 122562948
2-methyl-1-[2-(piperazin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 177354703
N,N-dimethyl-2-[[(2-methylsulfanylacetyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70740006

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide (CID 72909803) is 3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide is CSCCC(O)C(=O)N1CCn2nc(CCC(=O)NC(C)C)cc2C1.
What is the InChIKey of 3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide?
The InChIKey is HOEHOCAVBRKSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-12(2)18-16(23)5-4-13-10-14-11-20(7-8-21(14)19-13)17(24)15(22)6-9-25-3/h10,12,15,22H,4-9,11H2,1-3H3,(H,18,23).
What are the key properties of 3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide?
3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide has a molecular weight of 368.50 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 72909803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).