4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine

C17H15BrFN3 — CID 11494229

IUPAC4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine
SMILESCc1ccc(-c2ccc(Nc3c(Br)cnn3C)cc2)cc1F
InChIInChI=1S/C17H15BrFN3/c1-11-3-4-13(9-16(11)19)12-5-7-14(8-6-12)21-17-15(18)10-20-22(17)2/h3-10,21H,1-2H3
InChIKeyYDYBEKDYMKZZJD-UHFFFAOYSA-N
MW360.23 g/mol
LogP5.04
Rot. Bonds3

About 4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine

4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 11494229) has the molecular formula C17H15BrFN3 and a molecular weight of 360.23 g/mol. Its IUPAC name is 4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID11494229
Molecular FormulaC17H15BrFN3
Molecular Weight360.23 g/mol
Exact Mass359.04
IUPAC Name4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine
SMILESCc1ccc(-c2ccc(Nc3c(Br)cnn3C)cc2)cc1F
InChIInChI=1S/C17H15BrFN3/c1-11-3-4-13(9-16(11)19)12-5-7-14(8-6-12)21-17-15(18)10-20-22(17)2/h3-10,21H,1-2H3
InChIKeyYDYBEKDYMKZZJD-UHFFFAOYSA-N
XLogP5.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.23
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
4-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2764841
4-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2764845
4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 2764851
4-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 4315883
3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine
CID 135894588
1-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 4593193
1-[4-(butan-2-yl)phenyl]-3-[1-(pentafluorobenzyl)-1H-pyrazol-3-yl]thiourea
CID 2954626
(4-Bromo-2-methyl-2H-pyrazol-3-yl)-(3,3',4'-trifluoro-biphenyl-4-yl)-amine
CID 11494671
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-(4'-fluoro-biphenyl-4-yl)-amine
CID 11501104
(4-Bromo-2-methyl-2H-pyrazol-3-yl)-(2'-trifluoromethyl-biphenyl-4-yl)-amine
CID 11502126
(4'-Fluoro-biphenyl-4-yl)-(2-methyl-2H-pyrazol-3-yl)-amine
CID 11507271

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine (CID 11494229) is 4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine is Cc1ccc(-c2ccc(Nc3c(Br)cnn3C)cc2)cc1F.
What is the InChIKey of 4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is YDYBEKDYMKZZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3/c1-11-3-4-13(9-16(11)19)12-5-7-14(8-6-12)21-17-15(18)10-20-22(17)2/h3-10,21H,1-2H3.
What are the key properties of 4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine?
4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 360.23 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 11494229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).