N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H21N5O3 — CID 47079524

IUPACN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)c2ccc(=O)n(C)n2)c1C
InChIInChI=1S/C15H21N5O3/c1-10-12(11(2)20(17-10)7-8-23-4)9-16-15(22)13-5-6-14(21)19(3)18-13/h5-6H,7-9H2,1-4H3,(H,16,22)
InChIKeyQAOUXOLRJGWSSO-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.17
Rot. Bonds6

About N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 47079524) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID47079524
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)c2ccc(=O)n(C)n2)c1C
InChIInChI=1S/C15H21N5O3/c1-10-12(11(2)20(17-10)7-8-23-4)9-16-15(22)13-5-6-14(21)19(3)18-13/h5-6H,7-9H2,1-4H3,(H,16,22)
InChIKeyQAOUXOLRJGWSSO-UHFFFAOYSA-N
XLogP0.17
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 47079524) is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide is COCCn1nc(C)c(CNC(=O)c2ccc(=O)n(C)n2)c1C.
What is the InChIKey of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is QAOUXOLRJGWSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-10-12(11(2)20(17-10)7-8-23-4)9-16-15(22)13-5-6-14(21)19(3)18-13/h5-6H,7-9H2,1-4H3,(H,16,22).
What are the key properties of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 47079524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).