4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine

C9H6BrF2N3 — CID 117437328

IUPAC4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc(F)c(F)cc1Br
InChIInChI=1S/C9H6BrF2N3/c10-6-2-8(12)7(11)1-4(6)5-3-14-15-9(5)13/h1-3H,(H3,13,14,15)
InChIKeyUSFVSRWEMBWIJB-UHFFFAOYSA-N
MW274.07 g/mol
LogP2.70
Rot. Bonds1

About 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine

4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine (PubChem CID 117437328) has the molecular formula C9H6BrF2N3 and a molecular weight of 274.07 g/mol. Its IUPAC name is 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
PubChem CID117437328
Molecular FormulaC9H6BrF2N3
Molecular Weight274.07 g/mol
Exact Mass272.97
IUPAC Name4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc(F)c(F)cc1Br
InChIInChI=1S/C9H6BrF2N3/c10-6-2-8(12)7(11)1-4(6)5-3-14-15-9(5)13/h1-3H,(H3,13,14,15)
InChIKeyUSFVSRWEMBWIJB-UHFFFAOYSA-N
XLogP2.70
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine (CID 117437328) is 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cc(F)c(F)cc1Br.
What is the InChIKey of 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is USFVSRWEMBWIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2N3/c10-6-2-8(12)7(11)1-4(6)5-3-14-15-9(5)13/h1-3H,(H3,13,14,15).
What are the key properties of 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine?
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine has a molecular weight of 274.07 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117437328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).