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

C14H12ClN3S — CID 83216565

IUPAC1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2N)s1
InChIInChI=1S/C14H12ClN3S/c1-9-2-7-13(19-9)14-12(16)8-18(17-14)11-5-3-10(15)4-6-11/h2-8H,16H2,1H3
InChIKeyZJYVFOUWXLHXIZ-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.14
Rot. Bonds2

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

1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine (PubChem CID 83216565) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
PubChem CID83216565
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2N)s1
InChIInChI=1S/C14H12ClN3S/c1-9-2-7-13(19-9)14-12(16)8-18(17-14)11-5-3-10(15)4-6-11/h2-8H,16H2,1H3
InChIKeyZJYVFOUWXLHXIZ-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine (CID 83216565) is 1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine is Cc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2N)s1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The InChIKey is ZJYVFOUWXLHXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-9-2-7-13(19-9)14-12(16)8-18(17-14)11-5-3-10(15)4-6-11/h2-8H,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine has a molecular weight of 289.79 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83216565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).