2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine

C11H10BrF2N3 — CID 115053464

IUPAC2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)c1c(Br)cnn1-c1ccccc1
InChIInChI=1S/C11H10BrF2N3/c12-9-6-16-17(8-4-2-1-3-5-8)10(9)11(13,14)7-15/h1-6H,7,15H2
InChIKeyVKRLZHRTSMSVGH-UHFFFAOYSA-N
MW302.12 g/mol
LogP2.69
Rot. Bonds3

About 2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine

2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine (PubChem CID 115053464) has the molecular formula C11H10BrF2N3 and a molecular weight of 302.12 g/mol. Its IUPAC name is 2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine
PubChem CID115053464
Molecular FormulaC11H10BrF2N3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)c1c(Br)cnn1-c1ccccc1
InChIInChI=1S/C11H10BrF2N3/c12-9-6-16-17(8-4-2-1-3-5-8)10(9)11(13,14)7-15/h1-6H,7,15H2
InChIKeyVKRLZHRTSMSVGH-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroacetic acid
CID 115053519
1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
CID 42609359
4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole
CID 43542709
4-bromo-1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole
CID 43542859
2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine
CID 115047522
[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440508
2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 29078485
2-phenylethanamine;1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 158062941
1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66440827
2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114667850
2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 164662725
1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride;pyridin-3-ylmethanamine
CID 159637242

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine?
The IUPAC name of 2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine (CID 115053464) is 2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine is NCC(F)(F)c1c(Br)cnn1-c1ccccc1.
What is the InChIKey of 2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine?
The InChIKey is VKRLZHRTSMSVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3/c12-9-6-16-17(8-4-2-1-3-5-8)10(9)11(13,14)7-15/h1-6H,7,15H2.
What are the key properties of 2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine?
2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine has a molecular weight of 302.12 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 115053464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).