N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide

C15H21N5O3 — CID 56718362

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C15H21N5O3/c1-15(2,3)11-7-10(16-17-11)8-19(4)14(23)9-20-13(22)6-5-12(21)18-20/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,21)
InChIKeyFNKQZTHDIHMUFX-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.22
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide (PubChem CID 56718362) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
PubChem CID56718362
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C15H21N5O3/c1-15(2,3)11-7-10(16-17-11)8-19(4)14(23)9-20-13(22)6-5-12(21)18-20/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,21)
InChIKeyFNKQZTHDIHMUFX-UHFFFAOYSA-N
XLogP0.22
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide (CID 56718362) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
The InChIKey is FNKQZTHDIHMUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-15(2,3)11-7-10(16-17-11)8-19(4)14(23)9-20-13(22)6-5-12(21)18-20/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,21).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide has a molecular weight of 319.37 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide is sourced from PubChem (CID 56718362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).