3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole

C19H14N4 — CID 137224995

IUPAC3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole
SMILESc1ccc2c(-c3cn[nH]c3-c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C19H14N4/c1-3-7-17-12(5-1)14(9-20-17)16-11-22-23-19(16)15-10-21-18-8-4-2-6-13(15)18/h1-11,20-21H,(H,22,23)
InChIKeyMYFIYBXVIVFRJR-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.71
Rot. Bonds2

About 3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole

3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole (PubChem CID 137224995) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole
PubChem CID137224995
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole
SMILESc1ccc2c(-c3cn[nH]c3-c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C19H14N4/c1-3-7-17-12(5-1)14(9-20-17)16-11-22-23-19(16)15-10-21-18-8-4-2-6-13(15)18/h1-11,20-21H,(H,22,23)
InChIKeyMYFIYBXVIVFRJR-UHFFFAOYSA-N
XLogP4.71
TPSA60.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole?
The IUPAC name of 3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole (CID 137224995) is 3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole?
The canonical SMILES for 3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole is c1ccc2c(-c3cn[nH]c3-c3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole?
The InChIKey is MYFIYBXVIVFRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c1-3-7-17-12(5-1)14(9-20-17)16-11-22-23-19(16)15-10-21-18-8-4-2-6-13(15)18/h1-11,20-21H,(H,22,23).
What are the key properties of 3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole?
3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole has a molecular weight of 298.35 g/mol, XLogP of 4.71, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-3-yl)-1H-pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 137224995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).