3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

C14H11BrFN3S — CID 62500693

IUPAC3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2ccc(F)cc2Br)c(-c2cccs2)c1N
InChIInChI=1S/C14H11BrFN3S/c1-19-14(17)12(11-3-2-6-20-11)13(18-19)9-5-4-8(16)7-10(9)15/h2-7H,17H2,1H3
InChIKeyDYSITLWCHUCXGM-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.30
Rot. Bonds2

About 3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 62500693) has the molecular formula C14H11BrFN3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
PubChem CID62500693
Molecular FormulaC14H11BrFN3S
Molecular Weight352.23 g/mol
Exact Mass350.98
IUPAC Name3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2ccc(F)cc2Br)c(-c2cccs2)c1N
InChIInChI=1S/C14H11BrFN3S/c1-19-14(17)12(11-3-2-6-20-11)13(18-19)9-5-4-8(16)7-10(9)15/h2-7H,17H2,1H3
InChIKeyDYSITLWCHUCXGM-UHFFFAOYSA-N
XLogP4.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (CID 62500693) is 3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is Cn1nc(-c2ccc(F)cc2Br)c(-c2cccs2)c1N.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is DYSITLWCHUCXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3S/c1-19-14(17)12(11-3-2-6-20-11)13(18-19)9-5-4-8(16)7-10(9)15/h2-7H,17H2,1H3.
What are the key properties of 3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 352.23 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 62500693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).