1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol

C16H19N3O — CID 2972881

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol
SMILESCc1cc(C)n(CC(O)Cn2ccc3ccccc32)n1
InChIInChI=1S/C16H19N3O/c1-12-9-13(2)19(17-12)11-15(20)10-18-8-7-14-5-3-4-6-16(14)18/h3-9,15,20H,10-11H2,1-2H3
InChIKeyYXVBDBIZZOBMQL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.52
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol (PubChem CID 2972881) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol
PubChem CID2972881
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol
SMILESCc1cc(C)n(CC(O)Cn2ccc3ccccc32)n1
InChIInChI=1S/C16H19N3O/c1-12-9-13(2)19(17-12)11-15(20)10-18-8-7-14-5-3-4-6-16(14)18/h3-9,15,20H,10-11H2,1-2H3
InChIKeyYXVBDBIZZOBMQL-UHFFFAOYSA-N
XLogP2.52
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol (CID 2972881) is 1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol is Cc1cc(C)n(CC(O)Cn2ccc3ccccc32)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol?
The InChIKey is YXVBDBIZZOBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-9-13(2)19(17-12)11-15(20)10-18-8-7-14-5-3-4-6-16(14)18/h3-9,15,20H,10-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol has a molecular weight of 269.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 2972881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).