N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide

C16H22N6O2 — CID 53185707

IUPACN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCCOc1nccnc1N1CCC(N(C)C(=O)c2ccnn2C)C1
InChIInChI=1S/C16H22N6O2/c1-4-24-15-14(17-8-9-18-15)22-10-6-12(11-22)20(2)16(23)13-5-7-19-21(13)3/h5,7-9,12H,4,6,10-11H2,1-3H3
InChIKeyBRKOXPOUZMNVMY-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.96
Rot. Bonds5

About N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide

N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 53185707) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID53185707
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCCOc1nccnc1N1CCC(N(C)C(=O)c2ccnn2C)C1
InChIInChI=1S/C16H22N6O2/c1-4-24-15-14(17-8-9-18-15)22-10-6-12(11-22)20(2)16(23)13-5-7-19-21(13)3/h5,7-9,12H,4,6,10-11H2,1-3H3
InChIKeyBRKOXPOUZMNVMY-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
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]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide (CID 53185707) is N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide is CCOc1nccnc1N1CCC(N(C)C(=O)c2ccnn2C)C1.
What is the InChIKey of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is BRKOXPOUZMNVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-4-24-15-14(17-8-9-18-15)22-10-6-12(11-22)20(2)16(23)13-5-7-19-21(13)3/h5,7-9,12H,4,6,10-11H2,1-3H3.
What are the key properties of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.96, 5 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]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 53185707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).