N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

C13H22N4OS — CID 70765962

IUPACN-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCSCCCN1CCn2nc(CNC(C)=O)cc2C1
InChIInChI=1S/C13H22N4OS/c1-11(18)14-9-12-8-13-10-16(4-3-7-19-2)5-6-17(13)15-12/h8H,3-7,9-10H2,1-2H3,(H,14,18)
InChIKeyREEQEQGDZFFVJP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.09
Rot. Bonds6

About N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (PubChem CID 70765962) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
PubChem CID70765962
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCSCCCN1CCn2nc(CNC(C)=O)cc2C1
InChIInChI=1S/C13H22N4OS/c1-11(18)14-9-12-8-13-10-16(4-3-7-19-2)5-6-17(13)15-12/h8H,3-7,9-10H2,1-2H3,(H,14,18)
InChIKeyREEQEQGDZFFVJP-UHFFFAOYSA-N
XLogP1.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]methanesulfonamide
CID 45804050
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 53591113
N-[3-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53625103
N-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(methylthio)propanamide
CID 70717004
2-{[(N,N-diethyl-beta-alanyl)amino]methyl}-N,N-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 70726192
N-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(isopropylthio)acetamide
CID 70741712
N,N-dimethyl-N'-({5-[3-(methylthio)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)urea
CID 70768911
N,N-dimethyl-2-({[3-(methylthio)propanoyl]amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 70780461
N,N-dimethyl-2-{[(4,4,4-trifluorobutanoyl)amino]methyl}-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 70786047
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72841184
N~1~-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-L-methioninamide dihydrochloride
CID 72876812
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(1-piperidinyl)butanamide
CID 72890234

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (CID 70765962) is N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is CSCCCN1CCn2nc(CNC(C)=O)cc2C1.
What is the InChIKey of N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The InChIKey is REEQEQGDZFFVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-11(18)14-9-12-8-13-10-16(4-3-7-19-2)5-6-17(13)15-12/h8H,3-7,9-10H2,1-2H3,(H,14,18).
What are the key properties of N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylsulfanylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 70765962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).