2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide

C14H20N6S — CID 104730039

IUPAC2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide
SMILESCc1cc2c(N3CCN(C(C)C(N)=S)CC3)nccn2n1
InChIInChI=1S/C14H20N6S/c1-10-9-12-14(16-3-4-20(12)17-10)19-7-5-18(6-8-19)11(2)13(15)21/h3-4,9,11H,5-8H2,1-2H3,(H2,15,21)
InChIKeyJXKFBUUCWYONQR-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.83
Rot. Bonds3

About 2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide

2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide (PubChem CID 104730039) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide.

Molecular Properties

Compound Name2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide
PubChem CID104730039
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide
SMILESCc1cc2c(N3CCN(C(C)C(N)=S)CC3)nccn2n1
InChIInChI=1S/C14H20N6S/c1-10-9-12-14(16-3-4-20(12)17-10)19-7-5-18(6-8-19)11(2)13(15)21/h3-4,9,11H,5-8H2,1-2H3,(H2,15,21)
InChIKeyJXKFBUUCWYONQR-UHFFFAOYSA-N
XLogP0.83
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 133487929
4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 166601620
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-one
CID 104730047
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 133487949
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133490284
2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133488828
N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 104733601
N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide
CID 104730286
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanethioamide
CID 63342411
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133487895
4-[2-methyl-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800928

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide?
The IUPAC name of 2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide (CID 104730039) is 2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide.
What is the SMILES notation for 2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide?
The canonical SMILES for 2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide is Cc1cc2c(N3CCN(C(C)C(N)=S)CC3)nccn2n1.
What is the InChIKey of 2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide?
The InChIKey is JXKFBUUCWYONQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-10-9-12-14(16-3-4-20(12)17-10)19-7-5-18(6-8-19)11(2)13(15)21/h3-4,9,11H,5-8H2,1-2H3,(H2,15,21).
What are the key properties of 2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide?
2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide has a molecular weight of 304.42 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide is sourced from PubChem (CID 104730039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).