3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one

C11H18N4O2 — CID 129498999

IUPAC3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
SMILESC[C@@H]1Cn2nc(CO)cc2CN1C(=O)CCN
InChIInChI=1S/C11H18N4O2/c1-8-5-15-10(4-9(7-16)13-15)6-14(8)11(17)2-3-12/h4,8,16H,2-3,5-7,12H2,1H3/t8-/m1/s1
InChIKeyJAMBOEUQPKBCTL-MRVPVSSYSA-N
MW238.29 g/mol
LogP-0.55
Rot. Bonds3

About 3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one

3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one (PubChem CID 129498999) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
PubChem CID129498999
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
SMILESC[C@@H]1Cn2nc(CO)cc2CN1C(=O)CCN
InChIInChI=1S/C11H18N4O2/c1-8-5-15-10(4-9(7-16)13-15)6-14(8)11(17)2-3-12/h4,8,16H,2-3,5-7,12H2,1H3/t8-/m1/s1
InChIKeyJAMBOEUQPKBCTL-MRVPVSSYSA-N
XLogP-0.55
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one?
The IUPAC name of 3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one (CID 129498999) is 3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one is C[C@@H]1Cn2nc(CO)cc2CN1C(=O)CCN.
What is the InChIKey of 3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one?
The InChIKey is JAMBOEUQPKBCTL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-5-15-10(4-9(7-16)13-15)6-14(8)11(17)2-3-12/h4,8,16H,2-3,5-7,12H2,1H3/t8-/m1/s1.
What are the key properties of 3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one?
3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one has a molecular weight of 238.29 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one is sourced from PubChem (CID 129498999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).