5-(1-propan-2-ylpyrazol-3-yl)-1H-indole

C14H15N3 — CID 71071918

IUPAC5-(1-propan-2-ylpyrazol-3-yl)-1H-indole
SMILESCC(C)n1ccc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C14H15N3/c1-10(2)17-8-6-14(16-17)11-3-4-13-12(9-11)5-7-15-13/h3-10,15H,1-2H3
InChIKeySISVNUDTVBWAAG-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.61
Rot. Bonds2

About 5-(1-propan-2-ylpyrazol-3-yl)-1H-indole

5-(1-propan-2-ylpyrazol-3-yl)-1H-indole (PubChem CID 71071918) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-(1-propan-2-ylpyrazol-3-yl)-1H-indole.

Molecular Properties

Compound Name5-(1-propan-2-ylpyrazol-3-yl)-1H-indole
PubChem CID71071918
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name5-(1-propan-2-ylpyrazol-3-yl)-1H-indole
SMILESCC(C)n1ccc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C14H15N3/c1-10(2)17-8-6-14(16-17)11-3-4-13-12(9-11)5-7-15-13/h3-10,15H,1-2H3
InChIKeySISVNUDTVBWAAG-UHFFFAOYSA-N
XLogP3.61
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpyrazol-3-yl)-1H-indole?
The IUPAC name of 5-(1-propan-2-ylpyrazol-3-yl)-1H-indole (CID 71071918) is 5-(1-propan-2-ylpyrazol-3-yl)-1H-indole.
What is the SMILES notation for 5-(1-propan-2-ylpyrazol-3-yl)-1H-indole?
The canonical SMILES for 5-(1-propan-2-ylpyrazol-3-yl)-1H-indole is CC(C)n1ccc(-c2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 5-(1-propan-2-ylpyrazol-3-yl)-1H-indole?
The InChIKey is SISVNUDTVBWAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10(2)17-8-6-14(16-17)11-3-4-13-12(9-11)5-7-15-13/h3-10,15H,1-2H3.
What are the key properties of 5-(1-propan-2-ylpyrazol-3-yl)-1H-indole?
5-(1-propan-2-ylpyrazol-3-yl)-1H-indole has a molecular weight of 225.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpyrazol-3-yl)-1H-indole is sourced from PubChem (CID 71071918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).