1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide

C16H22N6O2 — CID 53185734

IUPAC1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(C)C2CCN(c3nccnc3OC)C2)n1
InChIInChI=1S/C16H22N6O2/c1-4-22-10-6-13(19-22)16(23)20(2)12-5-9-21(11-12)14-15(24-3)18-8-7-17-14/h6-8,10,12H,4-5,9,11H2,1-3H3
InChIKeyZIZLQXISOJFYOQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.05
Rot. Bonds5

About 1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide

1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 53185734) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide
PubChem CID53185734
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(C)C2CCN(c3nccnc3OC)C2)n1
InChIInChI=1S/C16H22N6O2/c1-4-22-10-6-13(19-22)16(23)20(2)12-5-9-21(11-12)14-15(24-3)18-8-7-17-14/h6-8,10,12H,4-5,9,11H2,1-3H3
InChIKeyZIZLQXISOJFYOQ-UHFFFAOYSA-N
XLogP1.05
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide (CID 53185734) is 1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide is CCn1ccc(C(=O)N(C)C2CCN(c3nccnc3OC)C2)n1.
What is the InChIKey of 1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is ZIZLQXISOJFYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-4-22-10-6-13(19-22)16(23)20(2)12-5-9-21(11-12)14-15(24-3)18-8-7-17-14/h6-8,10,12H,4-5,9,11H2,1-3H3.
What are the key properties of 1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide?
1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 53185734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).