5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine

C9H6BrF2N3 — CID 117437317

IUPAC5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(F)c(Br)c2F)[nH]n1
InChIInChI=1S/C9H6BrF2N3/c10-8-5(11)2-1-4(9(8)12)6-3-7(13)15-14-6/h1-3H,(H3,13,14,15)
InChIKeyGTWSTXQOQFMSMW-UHFFFAOYSA-N
MW274.07 g/mol
LogP2.70
Rot. Bonds1

About 5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine

5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine (PubChem CID 117437317) has the molecular formula C9H6BrF2N3 and a molecular weight of 274.07 g/mol. Its IUPAC name is 5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine
PubChem CID117437317
Molecular FormulaC9H6BrF2N3
Molecular Weight274.07 g/mol
Exact Mass272.97
IUPAC Name5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(F)c(Br)c2F)[nH]n1
InChIInChI=1S/C9H6BrF2N3/c10-8-5(11)2-1-4(9(8)12)6-3-7(13)15-14-6/h1-3H,(H3,13,14,15)
InChIKeyGTWSTXQOQFMSMW-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_2', 'substructure': 'N/A'}

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Related Compounds

3-Amino-5-phenylpyrazole
CID 136655
3-Amino-5-bromo-1H-indazole
CID 817910
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
5-Amino-3-(4-bromophenyl)-1H-pyrazole
CID 780878
3-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 727195
4-Bromo-3-phenyl-1H-pyrazol-5-amine
CID 594319
4-(4-Bromophenyl)-5-methyl-1H-pyrazol-3-amine
CID 17229016
5-(3-Fluorophenyl)-1H-pyrazol-3-amine
CID 18523990
5-(4-Bromo-phenyl)-4-chloro-2H-pyrazol-3-ylamine
CID 648672
5-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 614845
4-Bromo-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 2736431
3-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 2759138

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine (CID 117437317) is 5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc(F)c(Br)c2F)[nH]n1.
What is the InChIKey of 5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is GTWSTXQOQFMSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2N3/c10-8-5(11)2-1-4(9(8)12)6-3-7(13)15-14-6/h1-3H,(H3,13,14,15).
What are the key properties of 5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine?
5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-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 5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117437317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).