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

C17H26N4O3 — CID 72929973

IUPAC3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1cc2n(n1)CCN(C(=O)[C@H]1CCCO1)C2
InChIInChI=1S/C17H26N4O3/c1-12(2)18-16(22)6-5-13-10-14-11-20(7-8-21(14)19-13)17(23)15-4-3-9-24-15/h10,12,15H,3-9,11H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyXMQXPALHSRUOSN-OAHLLOKOSA-N
MW334.42 g/mol
LogP0.86
Rot. Bonds5

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

3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide (PubChem CID 72929973) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide
PubChem CID72929973
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1cc2n(n1)CCN(C(=O)[C@H]1CCCO1)C2
InChIInChI=1S/C17H26N4O3/c1-12(2)18-16(22)6-5-13-10-14-11-20(7-8-21(14)19-13)17(23)15-4-3-9-24-15/h10,12,15H,3-9,11H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyXMQXPALHSRUOSN-OAHLLOKOSA-N
XLogP0.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide (CID 72929973) is 3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1cc2n(n1)CCN(C(=O)[C@H]1CCCO1)C2.
What is the InChIKey of 3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide?
The InChIKey is XMQXPALHSRUOSN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12(2)18-16(22)6-5-13-10-14-11-20(7-8-21(14)19-13)17(23)15-4-3-9-24-15/h10,12,15H,3-9,11H2,1-2H3,(H,18,22)/t15-/m1/s1.
What are the key properties of 3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide?
3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2R)-oxolane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 72929973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).