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

C14H12BrN3S — CID 43336416

IUPAC4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cccs2)c(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C14H12BrN3S/c1-18-14(16)12(9-4-6-10(15)7-5-9)13(17-18)11-3-2-8-19-11/h2-8H,16H2,1H3
InChIKeyUTRRLSNCONQLAK-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.16
Rot. Bonds2

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

4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine (PubChem CID 43336416) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine
PubChem CID43336416
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cccs2)c(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C14H12BrN3S/c1-18-14(16)12(9-4-6-10(15)7-5-9)13(17-18)11-3-2-8-19-11/h2-8H,16H2,1H3
InChIKeyUTRRLSNCONQLAK-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine (CID 43336416) is 4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine is Cn1nc(-c2cccs2)c(-c2ccc(Br)cc2)c1N.
What is the InChIKey of 4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine?
The InChIKey is UTRRLSNCONQLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-18-14(16)12(9-4-6-10(15)7-5-9)13(17-18)11-3-2-8-19-11/h2-8H,16H2,1H3.
What are the key properties of 4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine?
4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine has a molecular weight of 334.24 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 43336416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).