1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol

C17H21BrN2O2 — CID 2962052

IUPAC1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
SMILESCc1nn(CC(O)COc2ccc3c(c2)CCC3)c(C)c1Br
InChIInChI=1S/C17H21BrN2O2/c1-11-17(18)12(2)20(19-11)9-15(21)10-22-16-7-6-13-4-3-5-14(13)8-16/h6-8,15,21H,3-5,9-10H2,1-2H3
InChIKeyKDOOEZRRXACFFT-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.19
Rot. Bonds5

About 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol

1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol (PubChem CID 2962052) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
PubChem CID2962052
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
SMILESCc1nn(CC(O)COc2ccc3c(c2)CCC3)c(C)c1Br
InChIInChI=1S/C17H21BrN2O2/c1-11-17(18)12(2)20(19-11)9-15(21)10-22-16-7-6-13-4-3-5-14(13)8-16/h6-8,15,21H,3-5,9-10H2,1-2H3
InChIKeyKDOOEZRRXACFFT-UHFFFAOYSA-N
XLogP3.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
The IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol (CID 2962052) is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
The canonical SMILES for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol is Cc1nn(CC(O)COc2ccc3c(c2)CCC3)c(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
The InChIKey is KDOOEZRRXACFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-11-17(18)12(2)20(19-11)9-15(21)10-22-16-7-6-13-4-3-5-14(13)8-16/h6-8,15,21H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol has a molecular weight of 365.27 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol is sourced from PubChem (CID 2962052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).