[(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone

C16H20N6O2 — CID 95242999

IUPAC[(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(c2cncc(-n3cccn3)n2)CC1
InChIInChI=1S/C16H20N6O2/c23-16(13-3-1-10-24-13)21-8-6-20(7-9-21)14-11-17-12-15(19-14)22-5-2-4-18-22/h2,4-5,11-13H,1,3,6-10H2/t13-/m0/s1
InChIKeyPVPRCWZMEGQYTA-ZDUSSCGKSA-N
MW328.38 g/mol
LogP0.49
Rot. Bonds3

About [(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone

[(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone (PubChem CID 95242999) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone
PubChem CID95242999
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name[(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(c2cncc(-n3cccn3)n2)CC1
InChIInChI=1S/C16H20N6O2/c23-16(13-3-1-10-24-13)21-8-6-20(7-9-21)14-11-17-12-15(19-14)22-5-2-4-18-22/h2,4-5,11-13H,1,3,6-10H2/t13-/m0/s1
InChIKeyPVPRCWZMEGQYTA-ZDUSSCGKSA-N
XLogP0.49
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97471180
(4-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone
CID 44023809
(4-(2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone
CID 45502398
N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide
CID 53168008
3-[4-(oxolane-2-carbonyl)piperazin-1-yl]-6-(1H-pyrrol-1-yl)pyridazine
CID 71799911
[(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 25667766
[(2R)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 25667768
[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 51867950
[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51867951
N-(2-((2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)amino)ethyl)tetrahydrofuran-2-carboxamide
CID 56700312
(4-(2-(Pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone
CID 70703053
Oxolan-2-yl-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone
CID 72020077

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone (CID 95242999) is [(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone is O=C([C@@H]1CCCO1)N1CCN(c2cncc(-n3cccn3)n2)CC1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone?
The InChIKey is PVPRCWZMEGQYTA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-16(13-3-1-10-24-13)21-8-6-20(7-9-21)14-11-17-12-15(19-14)22-5-2-4-18-22/h2,4-5,11-13H,1,3,6-10H2/t13-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone?
[(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone has a molecular weight of 328.38 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 95242999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).