2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one

C12H15N5O2 — CID 99964747

IUPAC2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cn2nc(C(=O)N3CC[C@H](N)C3)cc2c(=O)[nH]1
InChIInChI=1S/C12H15N5O2/c1-7-5-17-10(11(18)14-7)4-9(15-17)12(19)16-3-2-8(13)6-16/h4-5,8H,2-3,6,13H2,1H3,(H,14,18)/t8-/m0/s1
InChIKeyXTLGPWGWHZOCNW-QMMMGPOBSA-N
MW261.28 g/mol
LogP-0.50
Rot. Bonds1

About 2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 99964747) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID99964747
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cn2nc(C(=O)N3CC[C@H](N)C3)cc2c(=O)[nH]1
InChIInChI=1S/C12H15N5O2/c1-7-5-17-10(11(18)14-7)4-9(15-17)12(19)16-3-2-8(13)6-16/h4-5,8H,2-3,6,13H2,1H3,(H,14,18)/t8-/m0/s1
InChIKeyXTLGPWGWHZOCNW-QMMMGPOBSA-N
XLogP-0.50
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 99964747) is 2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1cn2nc(C(=O)N3CC[C@H](N)C3)cc2c(=O)[nH]1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XTLGPWGWHZOCNW-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-5-17-10(11(18)14-7)4-9(15-17)12(19)16-3-2-8(13)6-16/h4-5,8H,2-3,6,13H2,1H3,(H,14,18)/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 261.28 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 99964747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).