1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine

C13H9Cl2N3S — CID 83216351

IUPAC1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)cc2Cl)nc1-c1cccs1
InChIInChI=1S/C13H9Cl2N3S/c14-8-3-4-11(9(15)6-8)18-7-10(16)13(17-18)12-2-1-5-19-12/h1-7H,16H2
InChIKeyUYNUFLXXPMXRFH-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.49
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine

1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine (PubChem CID 83216351) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine
PubChem CID83216351
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)cc2Cl)nc1-c1cccs1
InChIInChI=1S/C13H9Cl2N3S/c14-8-3-4-11(9(15)6-8)18-7-10(16)13(17-18)12-2-1-5-19-12/h1-7H,16H2
InChIKeyUYNUFLXXPMXRFH-UHFFFAOYSA-N
XLogP4.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324453
1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83216046
1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine
CID 83223052
1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83203120
3-(2,5-dichlorophenyl)-1-(2-fluorophenyl)pyrazol-4-amine
CID 83203297
1-(2,4-dichlorophenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3954664
3-(5-chlorothiophen-3-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 106758401
1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43324340
1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141336
1-(3-chlorophenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
CID 83216821
7-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 82356194
1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-4-amine
CID 83216895

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine (CID 83216351) is 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine is Nc1cn(-c2ccc(Cl)cc2Cl)nc1-c1cccs1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
The InChIKey is UYNUFLXXPMXRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c14-8-3-4-11(9(15)6-8)18-7-10(16)13(17-18)12-2-1-5-19-12/h1-7H,16H2.
What are the key properties of 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine?
1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine has a molecular weight of 310.21 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine is sourced from PubChem (CID 83216351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).