3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one

C19H28N6OS — CID 70744819

IUPAC3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)c1nnsc1CN1CCn2nc(CCC(=O)N3CCCC3)cc2C1
InChIInChI=1S/C19H28N6OS/c1-14(2)19-17(27-22-20-19)13-23-9-10-25-16(12-23)11-15(21-25)5-6-18(26)24-7-3-4-8-24/h11,14H,3-10,12-13H2,1-2H3
InChIKeyWHYJELVAAJZCQI-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.43
Rot. Bonds6

About 3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 70744819) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID70744819
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC Name3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)c1nnsc1CN1CCn2nc(CCC(=O)N3CCCC3)cc2C1
InChIInChI=1S/C19H28N6OS/c1-14(2)19-17(27-22-20-19)13-23-9-10-25-16(12-23)11-15(21-25)5-6-18(26)24-7-3-4-8-24/h11,14H,3-10,12-13H2,1-2H3
InChIKeyWHYJELVAAJZCQI-UHFFFAOYSA-N
XLogP2.43
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 70744819) is 3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C)c1nnsc1CN1CCn2nc(CCC(=O)N3CCCC3)cc2C1.
What is the InChIKey of 3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WHYJELVAAJZCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-14(2)19-17(27-22-20-19)13-23-9-10-25-16(12-23)11-15(21-25)5-6-18(26)24-7-3-4-8-24/h11,14H,3-10,12-13H2,1-2H3.
What are the key properties of 3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 388.54 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-propan-2-ylthiadiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 70744819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).