N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide

C20H21N3O2 — CID 155543416

IUPACN-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(c2ccccc2)c2ccccc2)c(=O)[nH]n1C
InChIInChI=1S/C20H21N3O2/c1-14-18(20(25)22-23(14)2)19(24)21-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXNUZSJRRIGQEKJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.58
Rot. Bonds5

About N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide

N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide (PubChem CID 155543416) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide
PubChem CID155543416
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(c2ccccc2)c2ccccc2)c(=O)[nH]n1C
InChIInChI=1S/C20H21N3O2/c1-14-18(20(25)22-23(14)2)19(24)21-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXNUZSJRRIGQEKJ-UHFFFAOYSA-N
XLogP2.58
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide (CID 155543416) is N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide is Cc1c(C(=O)NCC(c2ccccc2)c2ccccc2)c(=O)[nH]n1C.
What is the InChIKey of N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide?
The InChIKey is XNUZSJRRIGQEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-18(20(25)22-23(14)2)19(24)21-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide?
N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155543416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).