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

C14H12BrN3S — CID 79989594

IUPAC3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine
SMILESCc1cc(-c2cc(N)n(-c3ccccc3)n2)sc1Br
InChIInChI=1S/C14H12BrN3S/c1-9-7-12(19-14(9)15)11-8-13(16)18(17-11)10-5-3-2-4-6-10/h2-8H,16H2,1H3
InChIKeySMHOLNMKGKUCDZ-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.25
Rot. Bonds2

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

3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine (PubChem CID 79989594) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine
PubChem CID79989594
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine
SMILESCc1cc(-c2cc(N)n(-c3ccccc3)n2)sc1Br
InChIInChI=1S/C14H12BrN3S/c1-9-7-12(19-14(9)15)11-8-13(16)18(17-11)10-5-3-2-4-6-10/h2-8H,16H2,1H3
InChIKeySMHOLNMKGKUCDZ-UHFFFAOYSA-N
XLogP4.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.25
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)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine (CID 79989594) is 3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine is Cc1cc(-c2cc(N)n(-c3ccccc3)n2)sc1Br.
What is the InChIKey of 3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine?
The InChIKey is SMHOLNMKGKUCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-9-7-12(19-14(9)15)11-8-13(16)18(17-11)10-5-3-2-4-6-10/h2-8H,16H2,1H3.
What are the key properties of 3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine?
3-(5-bromo-4-methylthiophen-2-yl)-1-phenylpyrazol-5-amine has a molecular weight of 334.24 g/mol, XLogP of 4.25, 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)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 79989594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).