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

C10H8BrF2N3O — CID 117488845

IUPAC4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(F)c(Br)cc(-c2cn[nH]c2N)c1F
InChIInChI=1S/C10H8BrF2N3O/c1-17-9-7(12)4(2-6(11)8(9)13)5-3-15-16-10(5)14/h2-3H,1H3,(H3,14,15,16)
InChIKeyMFCZIHYOXNUWNW-UHFFFAOYSA-N
MW304.09 g/mol
LogP2.71
Rot. Bonds2

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

4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 117488845) has the molecular formula C10H8BrF2N3O and a molecular weight of 304.09 g/mol. Its IUPAC name is 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
PubChem CID117488845
Molecular FormulaC10H8BrF2N3O
Molecular Weight304.09 g/mol
Exact Mass302.98
IUPAC Name4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(F)c(Br)cc(-c2cn[nH]c2N)c1F
InChIInChI=1S/C10H8BrF2N3O/c1-17-9-7(12)4(2-6(11)8(9)13)5-3-15-16-10(5)14/h2-3H,1H3,(H3,14,15,16)
InChIKeyMFCZIHYOXNUWNW-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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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine (CID 117488845) is 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine is COc1c(F)c(Br)cc(-c2cn[nH]c2N)c1F.
What is the InChIKey of 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is MFCZIHYOXNUWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3O/c1-17-9-7(12)4(2-6(11)8(9)13)5-3-15-16-10(5)14/h2-3H,1H3,(H3,14,15,16).
What are the key properties of 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine?
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-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 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117488845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).