1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine

C11H8ClN5S — CID 43381316

IUPAC1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(-c2cccs2)nn1-c1ccc(Cl)nn1
InChIInChI=1S/C11H8ClN5S/c12-9-3-4-11(15-14-9)17-10(13)6-7(16-17)8-2-1-5-18-8/h1-6H,13H2
InChIKeyZXVBKCSQKCBWSZ-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.63
Rot. Bonds2

About 1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine

1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine (PubChem CID 43381316) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine
PubChem CID43381316
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC Name1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(-c2cccs2)nn1-c1ccc(Cl)nn1
InChIInChI=1S/C11H8ClN5S/c12-9-3-4-11(15-14-9)17-10(13)6-7(16-17)8-2-1-5-18-8/h1-6H,13H2
InChIKeyZXVBKCSQKCBWSZ-UHFFFAOYSA-N
XLogP2.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
CID 43381319
3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
CID 43435972
3-chloro-6-thiophen-2-ylpyridazine
CID 6404701
1-(4-nitrophenyl)-3-thiophen-2-ylpyrazol-5-amine
CID 43381256
1-(6-chloropyridazin-3-yl)-5,5-dimethyl-3-thiophen-2-yl-6,7-dihydroindazol-4-one
CID 22733022
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
CID 121214173
1-cyclopentyl-3-thiophen-2-ylpyrazol-5-amine
CID 61272800
1-butyl-3-thiophen-2-ylpyrazol-5-amine
CID 61270917
1-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79873084
6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridine
CID 123140199
4-chloro-6-thiophen-2-ylpyridin-2-amine
CID 96614063
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine (CID 43381316) is 1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine is Nc1cc(-c2cccs2)nn1-c1ccc(Cl)nn1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine?
The InChIKey is ZXVBKCSQKCBWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S/c12-9-3-4-11(15-14-9)17-10(13)6-7(16-17)8-2-1-5-18-8/h1-6H,13H2.
What are the key properties of 1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine?
1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine has a molecular weight of 277.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 43381316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).