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

C9H6BrClFN3 — CID 117469643

IUPAC4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C9H6BrClFN3/c10-6-1-4(2-7(11)8(6)12)5-3-14-15-9(5)13/h1-3H,(H3,13,14,15)
InChIKeyKNKJUKIMNGNQTP-UHFFFAOYSA-N
MW290.52 g/mol
LogP3.21
Rot. Bonds1

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

4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine (PubChem CID 117469643) has the molecular formula C9H6BrClFN3 and a molecular weight of 290.52 g/mol. Its IUPAC name is 4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
PubChem CID117469643
Molecular FormulaC9H6BrClFN3
Molecular Weight290.52 g/mol
Exact Mass288.94
IUPAC Name4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C9H6BrClFN3/c10-6-1-4(2-7(11)8(6)12)5-3-14-15-9(5)13/h1-3H,(H3,13,14,15)
InChIKeyKNKJUKIMNGNQTP-UHFFFAOYSA-N
XLogP3.21
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine (CID 117469643) is 4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cc(Cl)c(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is KNKJUKIMNGNQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClFN3/c10-6-1-4(2-7(11)8(6)12)5-3-14-15-9(5)13/h1-3H,(H3,13,14,15).
What are the key properties of 4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine?
4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine has a molecular weight of 290.52 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117469643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).