5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide

C22H22N6O2 — CID 39316484

IUPAC5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCc2cccc3cccnc23)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C22H22N6O2/c1-3-18-17(14-25-28(18)19-9-10-20(30-2)27-26-19)22(29)24-13-11-16-7-4-6-15-8-5-12-23-21(15)16/h4-10,12,14H,3,11,13H2,1-2H3,(H,24,29)
InChIKeyBAEDGSQRURJVGY-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.75
Rot. Bonds7

About 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide

5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide (PubChem CID 39316484) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
PubChem CID39316484
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCc2cccc3cccnc23)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C22H22N6O2/c1-3-18-17(14-25-28(18)19-9-10-20(30-2)27-26-19)22(29)24-13-11-16-7-4-6-15-8-5-12-23-21(15)16/h4-10,12,14H,3,11,13H2,1-2H3,(H,24,29)
InChIKeyBAEDGSQRURJVGY-UHFFFAOYSA-N
XLogP2.75
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide (CID 39316484) is 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCCc2cccc3cccnc23)cnn1-c1ccc(OC)nn1.
What is the InChIKey of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
The InChIKey is BAEDGSQRURJVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-3-18-17(14-25-28(18)19-9-10-20(30-2)27-26-19)22(29)24-13-11-16-7-4-6-15-8-5-12-23-21(15)16/h4-10,12,14H,3,11,13H2,1-2H3,(H,24,29).
What are the key properties of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 39316484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).