1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole

C16H19N3O — CID 141216164

IUPAC1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole
SMILESCc1cc(-n2ccc3ccc(OC(C)C)cc32)n(C)n1
InChIInChI=1S/C16H19N3O/c1-11(2)20-14-6-5-13-7-8-19(15(13)10-14)16-9-12(3)17-18(16)4/h5-11H,1-4H3
InChIKeyMILLFOYBDPNRRT-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.46
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole

1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole (PubChem CID 141216164) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole
PubChem CID141216164
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole
SMILESCc1cc(-n2ccc3ccc(OC(C)C)cc32)n(C)n1
InChIInChI=1S/C16H19N3O/c1-11(2)20-14-6-5-13-7-8-19(15(13)10-14)16-9-12(3)17-18(16)4/h5-11H,1-4H3
InChIKeyMILLFOYBDPNRRT-UHFFFAOYSA-N
XLogP3.46
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole (CID 141216164) is 1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole is Cc1cc(-n2ccc3ccc(OC(C)C)cc32)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole?
The InChIKey is MILLFOYBDPNRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)20-14-6-5-13-7-8-19(15(13)10-14)16-9-12(3)17-18(16)4/h5-11H,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole?
1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole has a molecular weight of 269.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-6-propan-2-yloxyindole is sourced from PubChem (CID 141216164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).