N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C22H20N4O — CID 6623611

IUPACN-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C22H20N4O/c1-24(17-18-10-4-2-5-11-18)22(27)20-16-23-26(19-12-6-3-7-13-19)21(20)25-14-8-9-15-25/h2-16H,17H2,1H3
InChIKeyXEGIBBFXQBYBAY-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.94
Rot. Bonds5

About N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 6623611) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID6623611
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C22H20N4O/c1-24(17-18-10-4-2-5-11-18)22(27)20-16-23-26(19-12-6-3-7-13-19)21(20)25-14-8-9-15-25/h2-16H,17H2,1H3
InChIKeyXEGIBBFXQBYBAY-UHFFFAOYSA-N
XLogP3.94
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55993003
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892553
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55583430
N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38045932
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38074949
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 31852382
1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 52564643
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071
N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20914926
1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 47081624

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 6623611) is N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is XEGIBBFXQBYBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-24(17-18-10-4-2-5-11-18)22(27)20-16-23-26(19-12-6-3-7-13-19)21(20)25-14-8-9-15-25/h2-16H,17H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 6623611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).