N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide

C18H21N5O3 — CID 110220551

IUPACN-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
SMILESCc1nn(C)c(C)c1-c1ccc(=O)n(C(C)C(=O)NCc2ccco2)n1
InChIInChI=1S/C18H21N5O3/c1-11-17(12(2)22(4)20-11)15-7-8-16(24)23(21-15)13(3)18(25)19-10-14-6-5-9-26-14/h5-9,13H,10H2,1-4H3,(H,19,25)
InChIKeyRHFJUVYUYPUOGB-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.73
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide

N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide (PubChem CID 110220551) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
PubChem CID110220551
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
SMILESCc1nn(C)c(C)c1-c1ccc(=O)n(C(C)C(=O)NCc2ccco2)n1
InChIInChI=1S/C18H21N5O3/c1-11-17(12(2)22(4)20-11)15-7-8-16(24)23(21-15)13(3)18(25)19-10-14-6-5-9-26-14/h5-9,13H,10H2,1-4H3,(H,19,25)
InChIKeyRHFJUVYUYPUOGB-UHFFFAOYSA-N
XLogP1.73
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide (CID 110220551) is N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide is Cc1nn(C)c(C)c1-c1ccc(=O)n(C(C)C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The InChIKey is RHFJUVYUYPUOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11-17(12(2)22(4)20-11)15-7-8-16(24)23(21-15)13(3)18(25)19-10-14-6-5-9-26-14/h5-9,13H,10H2,1-4H3,(H,19,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide has a molecular weight of 355.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide is sourced from PubChem (CID 110220551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).