4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide

C7H5ClN4O — CID 123496796

IUPAC4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide
SMILESNC(=O)c1cnn2nccc2c1Cl
InChIInChI=1S/C7H5ClN4O/c8-6-4(7(9)13)3-11-12-5(6)1-2-10-12/h1-3H,(H2,9,13)
InChIKeyDDUFGBGAQVMZDP-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.48
Rot. Bonds1

About 4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide

4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide (PubChem CID 123496796) has the molecular formula C7H5ClN4O and a molecular weight of 196.60 g/mol. Its IUPAC name is 4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide.

Molecular Properties

Compound Name4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide
PubChem CID123496796
Molecular FormulaC7H5ClN4O
Molecular Weight196.60 g/mol
Exact Mass196.02
IUPAC Name4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide
SMILESNC(=O)c1cnn2nccc2c1Cl
InChIInChI=1S/C7H5ClN4O/c8-6-4(7(9)13)3-11-12-5(6)1-2-10-12/h1-3H,(H2,9,13)
InChIKeyDDUFGBGAQVMZDP-UHFFFAOYSA-N
XLogP0.48
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide?
The IUPAC name of 4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide (CID 123496796) is 4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide.
What is the SMILES notation for 4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide?
The canonical SMILES for 4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide is NC(=O)c1cnn2nccc2c1Cl.
What is the InChIKey of 4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide?
The InChIKey is DDUFGBGAQVMZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O/c8-6-4(7(9)13)3-11-12-5(6)1-2-10-12/h1-3H,(H2,9,13).
What are the key properties of 4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide?
4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide has a molecular weight of 196.60 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyrazolo[1,5-b]pyridazine-5-carboxamide is sourced from PubChem (CID 123496796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).