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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Related Compounds

4-(2-aminophenyl)pyrazolo[1,5-b]pyridazine-5-carboxamide
CID 89426895
4-chloropyridine-3,5-dicarboxamide
CID 151323477
imidazo[1,5-b]pyridazine-4-carboxamide
CID 90687791
5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide
CID 58110912
4-chloro-5-fluoropyridine-3-carboxamide
CID 99981298
2-chloro-3-pyrazol-1-ylbenzamide
CID 57422970
4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 118593207
2-(2,6-dichlorophenyl)-3-oxopyridazine-4-carboxamide
CID 170082321
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 118833693
6-amino-4-chloro-5-iodopyridine-3-carboxamide
CID 168948023
4,6-dichloroquinoline-3-carboxamide
CID 19827987
4-chloro-5-fluoro-6-methylpyridine-3-carboxamide
CID 167697175

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).