[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol

C15H16BrN3O — CID 102912135

IUPAC[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol
SMILESCc1nn(C)c(Cn2ccc3cccc(CO)c32)c1Br
InChIInChI=1S/C15H16BrN3O/c1-10-14(16)13(18(2)17-10)8-19-7-6-11-4-3-5-12(9-20)15(11)19/h3-7,20H,8-9H2,1-2H3
InChIKeyJRCGWMRGLJPTAS-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.99
Rot. Bonds3

About [1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol

[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol (PubChem CID 102912135) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is [1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol
PubChem CID102912135
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol
SMILESCc1nn(C)c(Cn2ccc3cccc(CO)c32)c1Br
InChIInChI=1S/C15H16BrN3O/c1-10-14(16)13(18(2)17-10)8-19-7-6-11-4-3-5-12(9-20)15(11)19/h3-7,20H,8-9H2,1-2H3
InChIKeyJRCGWMRGLJPTAS-UHFFFAOYSA-N
XLogP2.99
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620154
2-[7-(hydroxymethyl)indol-1-yl]ethanol
CID 102912014
[1-(2-methylsulfanylethyl)indol-7-yl]methanol
CID 102912009
[1-(pyridin-2-ylmethyl)indol-7-yl]methanol
CID 102911903
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrole-2-carbothioamide
CID 114654226
[1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol
CID 102912293
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
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indole-4-carbonitrile
CID 107919198
5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630203
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-5-nitroindole
CID 116619134
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole
CID 116618789

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol?
The IUPAC name of [1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol (CID 102912135) is [1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol.
What is the SMILES notation for [1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol?
The canonical SMILES for [1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol is Cc1nn(C)c(Cn2ccc3cccc(CO)c32)c1Br.
What is the InChIKey of [1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol?
The InChIKey is JRCGWMRGLJPTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-14(16)13(18(2)17-10)8-19-7-6-11-4-3-5-12(9-20)15(11)19/h3-7,20H,8-9H2,1-2H3.
What are the key properties of [1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol?
[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol has a molecular weight of 334.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol is sourced from PubChem (CID 102912135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).