N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide

C15H19N5O3 — CID 119099765

IUPACN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncccc1=O)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C15H19N5O3/c21-14(11-20-15(22)5-3-6-16-20)18-12-8-17-19(9-12)10-13-4-1-2-7-23-13/h3,5-6,8-9,13H,1-2,4,7,10-11H2,(H,18,21)
InChIKeyHCADQXOSHWBBMO-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.65
Rot. Bonds5

About N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 119099765) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID119099765
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncccc1=O)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C15H19N5O3/c21-14(11-20-15(22)5-3-6-16-20)18-12-8-17-19(9-12)10-13-4-1-2-7-23-13/h3,5-6,8-9,13H,1-2,4,7,10-11H2,(H,18,21)
InChIKeyHCADQXOSHWBBMO-UHFFFAOYSA-N
XLogP0.65
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659
2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 167784514
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121145309
4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide
CID 121145130

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide (CID 119099765) is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide is O=C(Cn1ncccc1=O)Nc1cnn(CC2CCCCO2)c1.
What is the InChIKey of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is HCADQXOSHWBBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c21-14(11-20-15(22)5-3-6-16-20)18-12-8-17-19(9-12)10-13-4-1-2-7-23-13/h3,5-6,8-9,13H,1-2,4,7,10-11H2,(H,18,21).
What are the key properties of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 119099765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).