1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

C19H25N3O — CID 652327

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2CC(O)Cn1nc(C)cc1C
InChIInChI=1S/C19H25N3O/c1-12-6-7-19-18(8-12)15(4)16(5)21(19)10-17(23)11-22-14(3)9-13(2)20-22/h6-9,17,23H,10-11H2,1-5H3
InChIKeyLUBDHBVMIJITBW-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.44
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (PubChem CID 652327) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
PubChem CID652327
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2CC(O)Cn1nc(C)cc1C
InChIInChI=1S/C19H25N3O/c1-12-6-7-19-18(8-12)15(4)16(5)21(19)10-17(23)11-22-14(3)9-13(2)20-22/h6-9,17,23H,10-11H2,1-5H3
InChIKeyLUBDHBVMIJITBW-UHFFFAOYSA-N
XLogP3.44
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (CID 652327) is 1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol is Cc1ccc2c(c1)c(C)c(C)n2CC(O)Cn1nc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The InChIKey is LUBDHBVMIJITBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-12-6-7-19-18(8-12)15(4)16(5)21(19)10-17(23)11-22-14(3)9-13(2)20-22/h6-9,17,23H,10-11H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol has a molecular weight of 311.43 g/mol, XLogP of 3.44, 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-(2,3,5-trimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 652327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).