1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine

C14H11Cl2N3S — CID 83216046

IUPAC1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2N)s1
InChIInChI=1S/C14H11Cl2N3S/c1-8-2-5-13(20-8)14-11(17)7-19(18-14)12-4-3-9(15)6-10(12)16/h2-7H,17H2,1H3
InChIKeyVMUFPYCRKNHHIH-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.80
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine

1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine (PubChem CID 83216046) has the molecular formula C14H11Cl2N3S and a molecular weight of 324.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
PubChem CID83216046
Molecular FormulaC14H11Cl2N3S
Molecular Weight324.24 g/mol
Exact Mass323.01
IUPAC Name1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2N)s1
InChIInChI=1S/C14H11Cl2N3S/c1-8-2-5-13(20-8)14-11(17)7-19(18-14)12-4-3-9(15)6-10(12)16/h2-7H,17H2,1H3
InChIKeyVMUFPYCRKNHHIH-UHFFFAOYSA-N
XLogP4.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141336
1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83216565
1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine
CID 83216351
1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222725
1-(3,5-dimethylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83217228
1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83203120
3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine
CID 83222348
3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
CID 83217231
3-(5-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine
CID 83222654
1-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222665
4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 43335989
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83204490

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine (CID 83216046) is 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine is Cc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2N)s1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The InChIKey is VMUFPYCRKNHHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3S/c1-8-2-5-13(20-8)14-11(17)7-19(18-14)12-4-3-9(15)6-10(12)16/h2-7H,17H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine has a molecular weight of 324.24 g/mol, XLogP of 4.80, 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-(5-methylthiophen-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83216046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).