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

C18H24N4OS — CID 72844324

IUPAC1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one
SMILESO=C(CCc1cc2n(n1)CCN(Cc1ccsc1)C2)N1CCCC1
InChIInChI=1S/C18H24N4OS/c23-18(21-6-1-2-7-21)4-3-16-11-17-13-20(8-9-22(17)19-16)12-15-5-10-24-14-15/h5,10-11,14H,1-4,6-9,12-13H2
InChIKeyVAFKWEPJAJKBBM-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.52
Rot. Bonds5

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

1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one (PubChem CID 72844324) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one
PubChem CID72844324
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one
SMILESO=C(CCc1cc2n(n1)CCN(Cc1ccsc1)C2)N1CCCC1
InChIInChI=1S/C18H24N4OS/c23-18(21-6-1-2-7-21)4-3-16-11-17-13-20(8-9-22(17)19-16)12-15-5-10-24-14-15/h5,10-11,14H,1-4,6-9,12-13H2
InChIKeyVAFKWEPJAJKBBM-UHFFFAOYSA-N
XLogP2.52
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one (CID 72844324) is 1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one is O=C(CCc1cc2n(n1)CCN(Cc1ccsc1)C2)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one?
The InChIKey is VAFKWEPJAJKBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c23-18(21-6-1-2-7-21)4-3-16-11-17-13-20(8-9-22(17)19-16)12-15-5-10-24-14-15/h5,10-11,14H,1-4,6-9,12-13H2.
What are the key properties of 1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one?
1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one has a molecular weight of 344.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one is sourced from PubChem (CID 72844324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).