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

C17H15BrFN3O — CID 10362153

IUPACN-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(Nc2cccc(-c3c(Br)cnn3C)c2)cc1F
InChIInChI=1S/C17H15BrFN3O/c1-22-17(14(18)10-20-22)11-4-3-5-12(8-11)21-13-6-7-16(23-2)15(19)9-13/h3-10,21H,1-2H3
InChIKeyCBGCYHQOGHGLJN-UHFFFAOYSA-N
MW376.23 g/mol
LogP4.74
Rot. Bonds4

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

N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline (PubChem CID 10362153) has the molecular formula C17H15BrFN3O and a molecular weight of 376.23 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline
PubChem CID10362153
Molecular FormulaC17H15BrFN3O
Molecular Weight376.23 g/mol
Exact Mass375.04
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(Nc2cccc(-c3c(Br)cnn3C)c2)cc1F
InChIInChI=1S/C17H15BrFN3O/c1-22-17(14(18)10-20-22)11-4-3-5-12(8-11)21-13-6-7-16(23-2)15(19)9-13/h3-10,21H,1-2H3
InChIKeyCBGCYHQOGHGLJN-UHFFFAOYSA-N
XLogP4.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nelotanserin
CID 11683556
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3,5-difluoro-phenyl)urea
CID 11154832
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-cyano-phenyl)-urea
CID 11258838
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-bromo-phenyl)-urea
CID 11294575
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-trifluoromethyl-phenyl)urea
CID 11374796
1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3-(2,4-difluorophenyl)urea
CID 11497283
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2-fluoro-phenyl)-urea
CID 11531833
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-fluoro-phenyl)-urea
CID 11567937
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-isopropyl-phenyl)urea
CID 11604671
1-(3,5-Bis-trifluoromethyl-phenyl)-3-[3-(4-bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-urea
CID 11656729
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-trifluoromethyl-phenyl)-urea
CID 11684204
1-[3-(4-Bromo-2-isopropyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-fluoro-phenyl)-urea
CID 11719283

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline (CID 10362153) is N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline is COc1ccc(Nc2cccc(-c3c(Br)cnn3C)c2)cc1F.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline?
The InChIKey is CBGCYHQOGHGLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O/c1-22-17(14(18)10-20-22)11-4-3-5-12(8-11)21-13-6-7-16(23-2)15(19)9-13/h3-10,21H,1-2H3.
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline?
N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline has a molecular weight of 376.23 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 10362153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).