3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine

C14H10BrClFN3S — CID 43336343

IUPAC3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)s2)c(-c2c(F)cccc2Cl)c1N
InChIInChI=1S/C14H10BrClFN3S/c1-20-14(18)12(11-7(16)3-2-4-8(11)17)13(19-20)9-5-6-10(15)21-9/h2-6H,18H2,1H3
InChIKeyJZOCNZLSVDLHIT-UHFFFAOYSA-N
MW386.68 g/mol
LogP4.95
Rot. Bonds2

About 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine

3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 43336343) has the molecular formula C14H10BrClFN3S and a molecular weight of 386.68 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID43336343
Molecular FormulaC14H10BrClFN3S
Molecular Weight386.68 g/mol
Exact Mass384.95
IUPAC Name3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)s2)c(-c2c(F)cccc2Cl)c1N
InChIInChI=1S/C14H10BrClFN3S/c1-20-14(18)12(11-7(16)3-2-4-8(11)17)13(19-20)9-5-6-10(15)21-9/h2-6H,18H2,1H3
InChIKeyJZOCNZLSVDLHIT-UHFFFAOYSA-N
XLogP4.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.68
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine (CID 43336343) is 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(Br)s2)c(-c2c(F)cccc2Cl)c1N.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is JZOCNZLSVDLHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3S/c1-20-14(18)12(11-7(16)3-2-4-8(11)17)13(19-20)9-5-6-10(15)21-9/h2-6H,18H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine?
3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 386.68 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43336343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).