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

C17H24N6O2 — CID 53185708

IUPACN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCOc1nccnc1N1CCC(N(C)C(=O)c2ccnn2CC)C1
InChIInChI=1S/C17H24N6O2/c1-4-23-14(6-8-20-23)17(24)21(3)13-7-11-22(12-13)15-16(25-5-2)19-10-9-18-15/h6,8-10,13H,4-5,7,11-12H2,1-3H3
InChIKeyXGCTXXUDNJDBAH-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.44
Rot. Bonds6

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

N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 53185708) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID53185708
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCOc1nccnc1N1CCC(N(C)C(=O)c2ccnn2CC)C1
InChIInChI=1S/C17H24N6O2/c1-4-23-14(6-8-20-23)17(24)21(3)13-7-11-22(12-13)15-16(25-5-2)19-10-9-18-15/h6,8-10,13H,4-5,7,11-12H2,1-3H3
InChIKeyXGCTXXUDNJDBAH-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide (CID 53185708) is N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide is CCOc1nccnc1N1CCC(N(C)C(=O)c2ccnn2CC)C1.
What is the InChIKey of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is XGCTXXUDNJDBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-4-23-14(6-8-20-23)17(24)21(3)13-7-11-22(12-13)15-16(25-5-2)19-10-9-18-15/h6,8-10,13H,4-5,7,11-12H2,1-3H3.
What are the key properties of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide?
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-2-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 53185708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).