4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline

C11H11BrFN3 — CID 43663168

IUPAC4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCn1nccc1CNc1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFN3/c1-16-9(4-5-15-16)7-14-11-3-2-8(12)6-10(11)13/h2-6,14H,7H2,1H3
InChIKeyITFCWPLRPVYUBP-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.93
Rot. Bonds3

About 4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline

4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline (PubChem CID 43663168) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
PubChem CID43663168
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCn1nccc1CNc1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFN3/c1-16-9(4-5-15-16)7-14-11-3-2-8(12)6-10(11)13/h2-6,14H,7H2,1H3
InChIKeyITFCWPLRPVYUBP-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole
CID 66657454
4-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-2-nitroaniline
CID 66110672
3-bromo-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 43722901
4-bromo-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-fluoroaniline
CID 43524691
5-[(4-bromo-2-fluoroanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630591
4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 54863710
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
2,3-difluoro-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 107933811
3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220
4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63203814

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline (CID 43663168) is 4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline is Cn1nccc1CNc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is ITFCWPLRPVYUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-16-9(4-5-15-16)7-14-11-3-2-8(12)6-10(11)13/h2-6,14H,7H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline?
4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline has a molecular weight of 284.13 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 43663168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).