5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine

C10H8BrF2N3O — CID 117488856

IUPAC5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(F)cc(Br)c(F)c1-c1cc(N)n[nH]1
InChIInChI=1S/C10H8BrF2N3O/c1-17-10-5(12)2-4(11)9(13)8(10)6-3-7(14)16-15-6/h2-3H,1H3,(H3,14,15,16)
InChIKeyQSISSHZARPWIIN-UHFFFAOYSA-N
MW304.09 g/mol
LogP2.71
Rot. Bonds2

About 5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine

5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 117488856) has the molecular formula C10H8BrF2N3O and a molecular weight of 304.09 g/mol. Its IUPAC name is 5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID117488856
Molecular FormulaC10H8BrF2N3O
Molecular Weight304.09 g/mol
Exact Mass302.98
IUPAC Name5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(F)cc(Br)c(F)c1-c1cc(N)n[nH]1
InChIInChI=1S/C10H8BrF2N3O/c1-17-10-5(12)2-4(11)9(13)8(10)6-3-7(14)16-15-6/h2-3H,1H3,(H3,14,15,16)
InChIKeyQSISSHZARPWIIN-UHFFFAOYSA-N
XLogP2.71
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117421240
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792
5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine
CID 117416700
5-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1H-pyrazol-3-amine
CID 117447594
5-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117496845
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714
5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine
CID 117456786
5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 115111588
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117453081
5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117350139
5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 117437317

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine (CID 117488856) is 5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine is COc1c(F)cc(Br)c(F)c1-c1cc(N)n[nH]1.
What is the InChIKey of 5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is QSISSHZARPWIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3O/c1-17-10-5(12)2-4(11)9(13)8(10)6-3-7(14)16-15-6/h2-3H,1H3,(H3,14,15,16).
What are the key properties of 5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine?
5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 304.09 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117488856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).