5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine

C15H10Br2FN3 — CID 62829642

IUPAC5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc(F)ccc2Br)c1-c1ccccc1Br
InChIInChI=1S/C15H10Br2FN3/c16-11-4-2-1-3-9(11)13-14(20-21-15(13)19)10-7-8(18)5-6-12(10)17/h1-7H,(H3,19,20,21)
InChIKeyBVGMLGDGAJFURU-UHFFFAOYSA-N
MW411.07 g/mol
LogP4.99
Rot. Bonds2

About 5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine

5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine (PubChem CID 62829642) has the molecular formula C15H10Br2FN3 and a molecular weight of 411.07 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine
PubChem CID62829642
Molecular FormulaC15H10Br2FN3
Molecular Weight411.07 g/mol
Exact Mass408.92
IUPAC Name5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc(F)ccc2Br)c1-c1ccccc1Br
InChIInChI=1S/C15H10Br2FN3/c16-11-4-2-1-3-9(11)13-14(20-21-15(13)19)10-7-8(18)5-6-12(10)17/h1-7H,(H3,19,20,21)
InChIKeyBVGMLGDGAJFURU-UHFFFAOYSA-N
XLogP4.99
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.07
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine (CID 62829642) is 5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cc(F)ccc2Br)c1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine?
The InChIKey is BVGMLGDGAJFURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2FN3/c16-11-4-2-1-3-9(11)13-14(20-21-15(13)19)10-7-8(18)5-6-12(10)17/h1-7H,(H3,19,20,21).
What are the key properties of 5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine?
5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine has a molecular weight of 411.07 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62829642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).