3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine

C15H10BrCl2N3 — CID 43435966

IUPAC3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2cccc(Br)c2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10BrCl2N3/c16-10-3-1-2-9(6-10)14-8-15(19)21(20-14)11-4-5-12(17)13(18)7-11/h1-8H,19H2
InChIKeyNVWQOOSOYSHLTL-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.19
Rot. Bonds2

About 3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine

3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine (PubChem CID 43435966) has the molecular formula C15H10BrCl2N3 and a molecular weight of 383.08 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine
PubChem CID43435966
Molecular FormulaC15H10BrCl2N3
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2cccc(Br)c2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10BrCl2N3/c16-10-3-1-2-9(6-10)14-8-15(19)21(20-14)11-4-5-12(17)13(18)7-11/h1-8H,19H2
InChIKeyNVWQOOSOYSHLTL-UHFFFAOYSA-N
XLogP5.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine?
The IUPAC name of 3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine (CID 43435966) is 3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine?
The canonical SMILES for 3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine is Nc1cc(-c2cccc(Br)c2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine?
The InChIKey is NVWQOOSOYSHLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3/c16-10-3-1-2-9(6-10)14-8-15(19)21(20-14)11-4-5-12(17)13(18)7-11/h1-8H,19H2.
What are the key properties of 3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine?
3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine has a molecular weight of 383.08 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine is sourced from PubChem (CID 43435966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).