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

C15H20N6O2 — CID 53185629

IUPAC2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC1CCN(c2nccnc2OC)C1
InChIInChI=1S/C15H20N6O2/c1-3-21-12(4-6-18-21)14(22)19-11-5-9-20(10-11)13-15(23-2)17-8-7-16-13/h4,6-8,11H,3,5,9-10H2,1-2H3,(H,19,22)
InChIKeyBOCANWBMGGSRKF-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.71
Rot. Bonds5

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

2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 53185629) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID53185629
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC1CCN(c2nccnc2OC)C1
InChIInChI=1S/C15H20N6O2/c1-3-21-12(4-6-18-21)14(22)19-11-5-9-20(10-11)13-15(23-2)17-8-7-16-13/h4,6-8,11H,3,5,9-10H2,1-2H3,(H,19,22)
InChIKeyBOCANWBMGGSRKF-UHFFFAOYSA-N
XLogP0.71
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (CID 53185629) is 2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is CCn1nccc1C(=O)NC1CCN(c2nccnc2OC)C1.
What is the InChIKey of 2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is BOCANWBMGGSRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-21-12(4-6-18-21)14(22)19-11-5-9-20(10-11)13-15(23-2)17-8-7-16-13/h4,6-8,11H,3,5,9-10H2,1-2H3,(H,19,22).
What are the key properties of 2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 53185629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).