3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine

C13H9Cl2N5 — CID 43381319

IUPAC3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)nn1
InChIInChI=1S/C13H9Cl2N5/c14-9-3-1-8(2-4-9)10-7-12(16)20(19-10)13-6-5-11(15)17-18-13/h1-7H,16H2
InChIKeyOCDJTUQBYAEDSI-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.22
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine

3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine (PubChem CID 43381319) has the molecular formula C13H9Cl2N5 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
PubChem CID43381319
Molecular FormulaC13H9Cl2N5
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)nn1
InChIInChI=1S/C13H9Cl2N5/c14-9-3-1-8(2-4-9)10-7-12(16)20(19-10)13-6-5-11(15)17-18-13/h1-7H,16H2
InChIKeyOCDJTUQBYAEDSI-UHFFFAOYSA-N
XLogP3.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
CID 43435972
3-(4-chlorophenyl)-1-pyridin-2-ylpyrazol-5-amine
CID 43381333
1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine
CID 43381316
1-(2-bromophenyl)-3-(4-chlorophenyl)pyrazol-5-amine
CID 43542919
3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135455471
3-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)pyrazol-5-amine
CID 63860690
1-(2,4-dichlorophenyl)-3-phenylpyrazol-5-amine
CID 43381347
3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]benzoic acid
CID 24786705
2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid
CID 55170882
1-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79873084
3-(3,5-dichlorophenyl)-1-phenylpyrazol-5-amine
CID 43336748
3-(3-chlorophenyl)-1-pyrazin-2-ylpyrazol-5-amine
CID 81043369

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine (CID 43381319) is 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine is Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)nn1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine?
The InChIKey is OCDJTUQBYAEDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5/c14-9-3-1-8(2-4-9)10-7-12(16)20(19-10)13-6-5-11(15)17-18-13/h1-7H,16H2.
What are the key properties of 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine?
3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine has a molecular weight of 306.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine is sourced from PubChem (CID 43381319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).