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

C16H21N5O2 — CID 110220529

IUPACN-cyclopropyl-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)NC2CC2)n1
InChIInChI=1S/C16H21N5O2/c1-9-15(10(2)20(4)18-9)13-7-8-14(22)21(19-13)11(3)16(23)17-12-5-6-12/h7-8,11-12H,5-6H2,1-4H3,(H,17,23)
InChIKeyXEERGWZPTHVUKZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.10
Rot. Bonds4

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

N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide (PubChem CID 110220529) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
PubChem CID110220529
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-cyclopropyl-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)NC2CC2)n1
InChIInChI=1S/C16H21N5O2/c1-9-15(10(2)20(4)18-9)13-7-8-14(22)21(19-13)11(3)16(23)17-12-5-6-12/h7-8,11-12H,5-6H2,1-4H3,(H,17,23)
InChIKeyXEERGWZPTHVUKZ-UHFFFAOYSA-N
XLogP1.10
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide (CID 110220529) is N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-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)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The InChIKey is XEERGWZPTHVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-9-15(10(2)20(4)18-9)13-7-8-14(22)21(19-13)11(3)16(23)17-12-5-6-12/h7-8,11-12H,5-6H2,1-4H3,(H,17,23).
What are the key properties of N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide has a molecular weight of 315.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide is sourced from PubChem (CID 110220529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).