1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine

C14H16BrF2N3 — CID 105000432

IUPAC1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine
SMILESCc1nn(C)c(CC(N)Cc2ccc(F)c(F)c2)c1Br
InChIInChI=1S/C14H16BrF2N3/c1-8-14(15)13(20(2)19-8)7-10(18)5-9-3-4-11(16)12(17)6-9/h3-4,6,10H,5,7,18H2,1-2H3
InChIKeyGWHKWPDOWHGUCD-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine (PubChem CID 105000432) has the molecular formula C14H16BrF2N3 and a molecular weight of 344.20 g/mol. Its IUPAC name is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine
PubChem CID105000432
Molecular FormulaC14H16BrF2N3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine
SMILESCc1nn(C)c(CC(N)Cc2ccc(F)c(F)c2)c1Br
InChIInChI=1S/C14H16BrF2N3/c1-8-14(15)13(20(2)19-8)7-10(18)5-9-3-4-11(16)12(17)6-9/h3-4,6,10H,5,7,18H2,1-2H3
InChIKeyGWHKWPDOWHGUCD-UHFFFAOYSA-N
XLogP2.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine
CID 104998510
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(4-methylphenyl)butan-2-amine
CID 105161042
1-(3,4-difluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105176047
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115814385
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198272
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105000382
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
1-(5-bromo-3-methyltriazol-4-yl)-2-(3,4-difluorophenyl)ethanamine
CID 106464668
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105217846
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine
CID 107953264
1-(3-bromo-4-methoxyphenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115818090
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195516

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine (CID 105000432) is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine is Cc1nn(C)c(CC(N)Cc2ccc(F)c(F)c2)c1Br.
What is the InChIKey of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine?
The InChIKey is GWHKWPDOWHGUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3/c1-8-14(15)13(20(2)19-8)7-10(18)5-9-3-4-11(16)12(17)6-9/h3-4,6,10H,5,7,18H2,1-2H3.
What are the key properties of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine?
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine has a molecular weight of 344.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine is sourced from PubChem (CID 105000432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).