N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide

C29H21N3O — CID 18415986

IUPACN-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)c1ccc2c(c1)Cc1c(-c3ccccc3)n[nH]c1-2
InChIInChI=1S/C29H21N3O/c33-29(21-12-6-2-7-13-21)32(23-14-8-3-9-15-23)24-16-17-25-22(18-24)19-26-27(30-31-28(25)26)20-10-4-1-5-11-20/h1-18H,19H2,(H,30,31)
InChIKeyGSWQACIMNXIUKQ-UHFFFAOYSA-N
MW427.51 g/mol
LogP6.63
Rot. Bonds4

About N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide

N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide (PubChem CID 18415986) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide.

Molecular Properties

Compound NameN-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide
PubChem CID18415986
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC NameN-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)c1ccc2c(c1)Cc1c(-c3ccccc3)n[nH]c1-2
InChIInChI=1S/C29H21N3O/c33-29(21-12-6-2-7-13-21)32(23-14-8-3-9-15-23)24-16-17-25-22(18-24)19-26-27(30-31-28(25)26)20-10-4-1-5-11-20/h1-18H,19H2,(H,30,31)
InChIKeyGSWQACIMNXIUKQ-UHFFFAOYSA-N
XLogP6.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide?
The IUPAC name of N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide (CID 18415986) is N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide.
What is the SMILES notation for N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide?
The canonical SMILES for N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide is O=C(c1ccccc1)N(c1ccccc1)c1ccc2c(c1)Cc1c(-c3ccccc3)n[nH]c1-2.
What is the InChIKey of N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide?
The InChIKey is GSWQACIMNXIUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c33-29(21-12-6-2-7-13-21)32(23-14-8-3-9-15-23)24-16-17-25-22(18-24)19-26-27(30-31-28(25)26)20-10-4-1-5-11-20/h1-18H,19H2,(H,30,31).
What are the key properties of N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide?
N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide has a molecular weight of 427.51 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)benzamide is sourced from PubChem (CID 18415986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).