N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide

C20H20N4O2 — CID 155544502

IUPACN-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C20H20N4O2/c1-13(14-8-10-16(11-9-14)19(21)25)22-20(26)18-12-17(23-24(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,21,25)(H,22,26)/t13-/m1/s1
InChIKeyUXENGKJCZDPTQU-CYBMUJFWSA-N
MW348.41 g/mol
LogP2.68
Rot. Bonds5

About N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide

N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 155544502) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID155544502
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C20H20N4O2/c1-13(14-8-10-16(11-9-14)19(21)25)22-20(26)18-12-17(23-24(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,21,25)(H,22,26)/t13-/m1/s1
InChIKeyUXENGKJCZDPTQU-CYBMUJFWSA-N
XLogP2.68
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide (CID 155544502) is N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide is C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(C(N)=O)cc1.
What is the InChIKey of N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is UXENGKJCZDPTQU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(14-8-10-16(11-9-14)19(21)25)22-20(26)18-12-17(23-24(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,21,25)(H,22,26)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-carbamoylphenyl)ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 155544502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).