1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole

C16H18BrN3 — CID 116620195

IUPAC1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole
SMILESCCn1nc(C)c(Br)c1Cn1ccc2c(C)cccc21
InChIInChI=1S/C16H18BrN3/c1-4-20-15(16(17)12(3)18-20)10-19-9-8-13-11(2)6-5-7-14(13)19/h5-9H,4,10H2,1-3H3
InChIKeyYWJWNFIRJQMREV-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.29
Rot. Bonds3

About 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole

1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole (PubChem CID 116620195) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole.

Molecular Properties

Compound Name1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole
PubChem CID116620195
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole
SMILESCCn1nc(C)c(Br)c1Cn1ccc2c(C)cccc21
InChIInChI=1S/C16H18BrN3/c1-4-20-15(16(17)12(3)18-20)10-19-9-8-13-11(2)6-5-7-14(13)19/h5-9H,4,10H2,1-3H3
InChIKeyYWJWNFIRJQMREV-UHFFFAOYSA-N
XLogP4.29
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-fluoroindole
CID 82792004
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620154
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methylindole
CID 116623011
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620304
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole
CID 83165952
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indole-4-carbonitrile
CID 107919198
1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952144
1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole
CID 116620242
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
2,6-dibromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]aniline
CID 107598752
N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401466

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole?
The IUPAC name of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole (CID 116620195) is 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole.
What is the SMILES notation for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole?
The canonical SMILES for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole is CCn1nc(C)c(Br)c1Cn1ccc2c(C)cccc21.
What is the InChIKey of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole?
The InChIKey is YWJWNFIRJQMREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-4-20-15(16(17)12(3)18-20)10-19-9-8-13-11(2)6-5-7-14(13)19/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole?
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole has a molecular weight of 332.25 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole is sourced from PubChem (CID 116620195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).