1-(1H-indol-3-yl)-2,3-dihydroindazole

C15H13N3 — CID 173336641

IUPAC1-(1H-indol-3-yl)-2,3-dihydroindazole
SMILESc1ccc2c(c1)CNN2c1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3/c1-4-8-14-11(5-1)9-17-18(14)15-10-16-13-7-3-2-6-12(13)15/h1-8,10,16-17H,9H2
InChIKeyIBDNNGUNVWLPSF-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.32
Rot. Bonds1

About 1-(1H-indol-3-yl)-2,3-dihydroindazole

1-(1H-indol-3-yl)-2,3-dihydroindazole (PubChem CID 173336641) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2,3-dihydroindazole.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2,3-dihydroindazole
PubChem CID173336641
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name1-(1H-indol-3-yl)-2,3-dihydroindazole
SMILESc1ccc2c(c1)CNN2c1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3/c1-4-8-14-11(5-1)9-17-18(14)15-10-16-13-7-3-2-6-12(13)15/h1-8,10,16-17H,9H2
InChIKeyIBDNNGUNVWLPSF-UHFFFAOYSA-N
XLogP3.32
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2,3-dihydroindazole?
The IUPAC name of 1-(1H-indol-3-yl)-2,3-dihydroindazole (CID 173336641) is 1-(1H-indol-3-yl)-2,3-dihydroindazole.
What is the SMILES notation for 1-(1H-indol-3-yl)-2,3-dihydroindazole?
The canonical SMILES for 1-(1H-indol-3-yl)-2,3-dihydroindazole is c1ccc2c(c1)CNN2c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2,3-dihydroindazole?
The InChIKey is IBDNNGUNVWLPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-4-8-14-11(5-1)9-17-18(14)15-10-16-13-7-3-2-6-12(13)15/h1-8,10,16-17H,9H2.
What are the key properties of 1-(1H-indol-3-yl)-2,3-dihydroindazole?
1-(1H-indol-3-yl)-2,3-dihydroindazole has a molecular weight of 235.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2,3-dihydroindazole is sourced from PubChem (CID 173336641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).