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

C15H14FN3S — CID 83222725

IUPAC1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3C)cc2N)s1
InChIInChI=1S/C15H14FN3S/c1-9-7-11(16)4-5-13(9)19-8-12(17)15(18-19)14-6-3-10(2)20-14/h3-8H,17H2,1-2H3
InChIKeySXWDDEHTLPXDRH-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.94
Rot. Bonds2

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

1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine (PubChem CID 83222725) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
PubChem CID83222725
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3C)cc2N)s1
InChIInChI=1S/C15H14FN3S/c1-9-7-11(16)4-5-13(9)19-8-12(17)15(18-19)14-6-3-10(2)20-14/h3-8H,17H2,1-2H3
InChIKeySXWDDEHTLPXDRH-UHFFFAOYSA-N
XLogP3.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine
CID 83222654
3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine
CID 83222348
1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83216046
1-(3,5-dimethylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83217228
1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83216565
1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine
CID 83223052
3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine
CID 107354942
3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
CID 83217231
1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43324186
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine
CID 83203131
1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
CID 83216126
1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141336

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine (CID 83222725) is 1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine is Cc1ccc(-c2nn(-c3ccc(F)cc3C)cc2N)s1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
The InChIKey is SXWDDEHTLPXDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-9-7-11(16)4-5-13(9)19-8-12(17)15(18-19)14-6-3-10(2)20-14/h3-8H,17H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine?
1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83222725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).