N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide

C22H19N3O — CID 67715761

IUPACN,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C22H19N3O/c26-22(23-19-14-8-3-9-15-19)25-16-20(17-10-4-1-5-11-17)21(24-25)18-12-6-2-7-13-18/h1-15,20H,16H2,(H,23,26)
InChIKeyGSPYRNMSORVJFD-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.72
Rot. Bonds3

About N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide

N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 67715761) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID67715761
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C22H19N3O/c26-22(23-19-14-8-3-9-15-19)25-16-20(17-10-4-1-5-11-17)21(24-25)18-12-6-2-7-13-18/h1-15,20H,16H2,(H,23,26)
InChIKeyGSPYRNMSORVJFD-UHFFFAOYSA-N
XLogP4.72
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide (CID 67715761) is N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccccc1)N1CC(c2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is GSPYRNMSORVJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c26-22(23-19-14-8-3-9-15-19)25-16-20(17-10-4-1-5-11-17)21(24-25)18-12-6-2-7-13-18/h1-15,20H,16H2,(H,23,26).
What are the key properties of N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide?
N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-triphenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 67715761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).