N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide

C21H22N4O2 — CID 38744068

IUPACN-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H22N4O2/c1-22-21(27)18-10-8-16(9-11-18)14-24(2)20(26)12-17-13-23-25(15-17)19-6-4-3-5-7-19/h3-11,13,15H,12,14H2,1-2H3,(H,22,27)
InChIKeyRIDLXHSCKAOZLU-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide (PubChem CID 38744068) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide
PubChem CID38744068
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H22N4O2/c1-22-21(27)18-10-8-16(9-11-18)14-24(2)20(26)12-17-13-23-25(15-17)19-6-4-3-5-7-19/h3-11,13,15H,12,14H2,1-2H3,(H,22,27)
InChIKeyRIDLXHSCKAOZLU-UHFFFAOYSA-N
XLogP2.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide 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

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648715
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 31031484
3,4-dichloro-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 8950479
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32934582
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950246
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24515240

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide (CID 38744068) is N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)Cc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide?
The InChIKey is RIDLXHSCKAOZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-22-21(27)18-10-8-16(9-11-18)14-24(2)20(26)12-17-13-23-25(15-17)19-6-4-3-5-7-19/h3-11,13,15H,12,14H2,1-2H3,(H,22,27).
What are the key properties of N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 38744068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).