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

C10H8BrF2N3 — CID 117464618

IUPAC3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(F)c(F)c2Br)cc1N
InChIInChI=1S/C10H8BrF2N3/c1-16-8(14)4-7(15-16)5-2-3-6(12)10(13)9(5)11/h2-4H,14H2,1H3
InChIKeyDKJVLGSZAUPDDV-UHFFFAOYSA-N
MW288.10 g/mol
LogP2.71
Rot. Bonds1

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

3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 117464618) has the molecular formula C10H8BrF2N3 and a molecular weight of 288.10 g/mol. Its IUPAC name is 3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
PubChem CID117464618
Molecular FormulaC10H8BrF2N3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC Name3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(F)c(F)c2Br)cc1N
InChIInChI=1S/C10H8BrF2N3/c1-16-8(14)4-7(15-16)5-2-3-6(12)10(13)9(5)11/h2-4H,14H2,1H3
InChIKeyDKJVLGSZAUPDDV-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117456804
3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112010
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117378006
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
CID 117375469
3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
CID 115111981
1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
CID 117338986
3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117346333

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine (CID 117464618) is 3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(F)c(F)c2Br)cc1N.
What is the InChIKey of 3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is DKJVLGSZAUPDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3/c1-16-8(14)4-7(15-16)5-2-3-6(12)10(13)9(5)11/h2-4H,14H2,1H3.
What are the key properties of 3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine?
3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 288.10 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117464618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).