[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C17H24N6O2 — CID 91914192

IUPAC[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCCN(C)c1nccnc1OC1CCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C17H24N6O2/c1-4-10-21(2)15-16(19-9-8-18-15)25-13-6-11-23(12-13)17(24)14-5-7-20-22(14)3/h5,7-9,13H,4,6,10-12H2,1-3H3
InChIKeyLHIJRSDQZQGPIV-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.35
Rot. Bonds6

About [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91914192) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91914192
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCCN(C)c1nccnc1OC1CCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C17H24N6O2/c1-4-10-21(2)15-16(19-9-8-18-15)25-13-6-11-23(12-13)17(24)14-5-7-20-22(14)3/h5,7-9,13H,4,6,10-12H2,1-3H3
InChIKeyLHIJRSDQZQGPIV-UHFFFAOYSA-N
XLogP1.35
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Ethoxy-N-[1-(1-ethyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]pyrazin-2-amine
CID 87053003
(3-{[3-(Dimethylamino)pyrazin-2-YL]oxy}pyrrolidin-1-YL)(1H-pyrazol-3-YL)methanone
CID 91914184
N,N-Dimethyl-3-{[1-(1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]oxy}pyrazin-2-amine
CID 91914174
N-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-3-methoxypyrazin-2-amine
CID 53185570
[3-({3-[methyl(propyl)amino]-2-pyrazinyl}oxy)-1-pyrrolidinyl](1H-pyrazol-3-yl)methanone
CID 91904388
3-Methoxy-N-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]pyrazin-2-amine
CID 53185569
1-ethyl-N-[1-(3-methoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-1H-pyrazole-5-carboxamide
CID 53185629
N~5~-[1-(3-Ethoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-YL]-N~5~,1-dimethyl-1H-pyrazole-5-carboxamide
CID 53185707
N-[1-(3-Ethoxypyrazin-2-YL)pyrrolidin-3-YL]-1-ethyl-N-methyl-1H-pyrazole-5-carboxamide
CID 53185708
N~5~-[1-(3-Methoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-YL]-N~5~,1-dimethyl-1H-pyrazole-5-carboxamide
CID 53185733
1-Ethyl-N-[1-(3-methoxypyrazin-2-YL)pyrrolidin-3-YL]-N-methyl-1H-pyrazole-3-carboxamide
CID 53185734
(3-{[6-(Dimethylamino)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)(1-methyl-1H-pyrazol-5-YL)methanone
CID 53185838

Frequently Asked Questions

What is the IUPAC name of [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91914192) is [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is CCCN(C)c1nccnc1OC1CCN(C(=O)c2ccnn2C)C1.
What is the InChIKey of [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is LHIJRSDQZQGPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-4-10-21(2)15-16(19-9-8-18-15)25-13-6-11-23(12-13)17(24)14-5-7-20-22(14)3/h5,7-9,13H,4,6,10-12H2,1-3H3.
What are the key properties of [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91914192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).