N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline

C17H15BrFN3 — CID 10406197

IUPACN-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1Nc1cccc(-c2c(Br)cnn2C)c1
InChIInChI=1S/C17H15BrFN3/c1-11-15(19)7-4-8-16(11)21-13-6-3-5-12(9-13)17-14(18)10-20-22(17)2/h3-10,21H,1-2H3
InChIKeyXCWWSKFDWGZERK-UHFFFAOYSA-N
MW360.23 g/mol
LogP5.04
Rot. Bonds3

About N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline

N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline (PubChem CID 10406197) has the molecular formula C17H15BrFN3 and a molecular weight of 360.23 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline
PubChem CID10406197
Molecular FormulaC17H15BrFN3
Molecular Weight360.23 g/mol
Exact Mass359.04
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1Nc1cccc(-c2c(Br)cnn2C)c1
InChIInChI=1S/C17H15BrFN3/c1-11-15(19)7-4-8-16(11)21-13-6-3-5-12(9-13)17-14(18)10-20-22(17)2/h3-10,21H,1-2H3
InChIKeyXCWWSKFDWGZERK-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

3-[3-(4-bromo-1-methylpyrazol-5-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556877
N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169373356
1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-(4-chlorophenyl)thiourea
CID 87955368
(4-bromophenyl) N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]carbamate
CID 10195153
5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104533871
N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine
CID 115049456
3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline
CID 10403566
1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 142269407
1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-fluorophenyl]-3-(4-chlorophenyl)urea
CID 10287909
2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
CID 113295636
1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-fluorophenyl]-3-(2,4-dichlorophenyl)urea
CID 10173849
4-(4-bromo-1-methylpyrazol-5-yl)aniline
CID 83394850

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline (CID 10406197) is N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline is Cc1c(F)cccc1Nc1cccc(-c2c(Br)cnn2C)c1.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline?
The InChIKey is XCWWSKFDWGZERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3/c1-11-15(19)7-4-8-16(11)21-13-6-3-5-12(9-13)17-14(18)10-20-22(17)2/h3-10,21H,1-2H3.
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline?
N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline 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 N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline is sourced from PubChem (CID 10406197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).