2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole

C27H21N3 — CID 21231803

IUPAC2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole
SMILESc1ccc(N2N=C(c3ccc4ccccc4c3)CC2c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C27H21N3/c1-2-11-23(12-3-1)30-27(26-17-21-10-6-7-13-24(21)28-26)18-25(29-30)22-15-14-19-8-4-5-9-20(19)16-22/h1-17,27-28H,18H2
InChIKeyQQPQGIPFMCUOIH-UHFFFAOYSA-N
MW387.49 g/mol
LogP6.68
Rot. Bonds3

About 2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole

2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole (PubChem CID 21231803) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole.

Molecular Properties

Compound Name2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole
PubChem CID21231803
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole
SMILESc1ccc(N2N=C(c3ccc4ccccc4c3)CC2c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C27H21N3/c1-2-11-23(12-3-1)30-27(26-17-21-10-6-7-13-24(21)28-26)18-25(29-30)22-15-14-19-8-4-5-9-20(19)16-22/h1-17,27-28H,18H2
InChIKeyQQPQGIPFMCUOIH-UHFFFAOYSA-N
XLogP6.68
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole?
The IUPAC name of 2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole (CID 21231803) is 2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole.
What is the SMILES notation for 2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole?
The canonical SMILES for 2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole is c1ccc(N2N=C(c3ccc4ccccc4c3)CC2c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole?
The InChIKey is QQPQGIPFMCUOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3/c1-2-11-23(12-3-1)30-27(26-17-21-10-6-7-13-24(21)28-26)18-25(29-30)22-15-14-19-8-4-5-9-20(19)16-22/h1-17,27-28H,18H2.
What are the key properties of 2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole?
2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole has a molecular weight of 387.49 g/mol, XLogP of 6.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole is sourced from PubChem (CID 21231803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).