3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine

C15H13BrFN3S — CID 79977683

IUPAC3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2-c2ccccc2F)sc1Br
InChIInChI=1S/C15H13BrFN3S/c1-8-7-11(21-14(8)16)13-12(15(18)20(2)19-13)9-5-3-4-6-10(9)17/h3-7H,18H2,1-2H3
InChIKeyQBLSVVVAGSWZOA-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.61
Rot. Bonds2

About 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine

3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 79977683) has the molecular formula C15H13BrFN3S and a molecular weight of 366.26 g/mol. Its IUPAC name is 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID79977683
Molecular FormulaC15H13BrFN3S
Molecular Weight366.26 g/mol
Exact Mass365.00
IUPAC Name3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2-c2ccccc2F)sc1Br
InChIInChI=1S/C15H13BrFN3S/c1-8-7-11(21-14(8)16)13-12(15(18)20(2)19-13)9-5-3-4-6-10(9)17/h3-7H,18H2,1-2H3
InChIKeyQBLSVVVAGSWZOA-UHFFFAOYSA-N
XLogP4.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine (CID 79977683) is 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine is Cc1cc(-c2nn(C)c(N)c2-c2ccccc2F)sc1Br.
What is the InChIKey of 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is QBLSVVVAGSWZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3S/c1-8-7-11(21-14(8)16)13-12(15(18)20(2)19-13)9-5-3-4-6-10(9)17/h3-7H,18H2,1-2H3.
What are the key properties of 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine?
3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 366.26 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 79977683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).