1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole

C15H16BrN3 — CID 116620154

IUPAC1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
SMILESCc1nn(C)c(Cn2ccc3c(C)cccc32)c1Br
InChIInChI=1S/C15H16BrN3/c1-10-5-4-6-13-12(10)7-8-19(13)9-14-15(16)11(2)17-18(14)3/h4-8H,9H2,1-3H3
InChIKeyCDRKJFWMMAKOOJ-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.80
Rot. Bonds2

About 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole

1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole (PubChem CID 116620154) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole.

Molecular Properties

Compound Name1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
PubChem CID116620154
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
SMILESCc1nn(C)c(Cn2ccc3c(C)cccc32)c1Br
InChIInChI=1S/C15H16BrN3/c1-10-5-4-6-13-12(10)7-8-19(13)9-14-15(16)11(2)17-18(14)3/h4-8H,9H2,1-3H3
InChIKeyCDRKJFWMMAKOOJ-UHFFFAOYSA-N
XLogP3.80
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.80
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-methylindole
CID 116620195
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620304
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indole-4-carbonitrile
CID 107919198
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-fluoroindole
CID 82792004
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol
CID 102912135
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrole-2-carbaldehyde
CID 66408998
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indole-6-carbonitrile
CID 107917124
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402797
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66403138
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-5-nitroindole
CID 116619134

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole?
The IUPAC name of 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole (CID 116620154) is 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole.
What is the SMILES notation for 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole?
The canonical SMILES for 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole is Cc1nn(C)c(Cn2ccc3c(C)cccc32)c1Br.
What is the InChIKey of 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole?
The InChIKey is CDRKJFWMMAKOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-10-5-4-6-13-12(10)7-8-19(13)9-14-15(16)11(2)17-18(14)3/h4-8H,9H2,1-3H3.
What are the key properties of 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole?
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole has a molecular weight of 318.22 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole is sourced from PubChem (CID 116620154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).