3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine

C15H14ClN3S — CID 83217231

IUPAC3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
SMILESCc1ccc(C)c(-n2cc(N)c(-c3ccc(Cl)s3)n2)c1
InChIInChI=1S/C15H14ClN3S/c1-9-3-4-10(2)12(7-9)19-8-11(17)15(18-19)13-5-6-14(16)20-13/h3-8H,17H2,1-2H3
InChIKeyPPOSSPSQKXXTTB-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.45
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine

3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine (PubChem CID 83217231) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
PubChem CID83217231
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
SMILESCc1ccc(C)c(-n2cc(N)c(-c3ccc(Cl)s3)n2)c1
InChIInChI=1S/C15H14ClN3S/c1-9-3-4-10(2)12(7-9)19-8-11(17)15(18-19)13-5-6-14(16)20-13/h3-8H,17H2,1-2H3
InChIKeyPPOSSPSQKXXTTB-UHFFFAOYSA-N
XLogP4.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine (CID 83217231) is 3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine is Cc1ccc(C)c(-n2cc(N)c(-c3ccc(Cl)s3)n2)c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine?
The InChIKey is PPOSSPSQKXXTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-9-3-4-10(2)12(7-9)19-8-11(17)15(18-19)13-5-6-14(16)20-13/h3-8H,17H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine?
3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine has a molecular weight of 303.82 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83217231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).