5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide

C21H22N4O2 — CID 110615690

IUPAC5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1
InChIInChI=1S/C21H22N4O2/c1-13-9-10-15(11-14(13)2)19-12-18(24-25(19)4)21(27)23-17-8-6-5-7-16(17)20(26)22-3/h5-12H,1-4H3,(H,22,26)(H,23,27)
InChIKeySIPJPEOASMLPPE-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.32
Rot. Bonds4

About 5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide

5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 110615690) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID110615690
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1
InChIInChI=1S/C21H22N4O2/c1-13-9-10-15(11-14(13)2)19-12-18(24-25(19)4)21(27)23-17-8-6-5-7-16(17)20(26)22-3/h5-12H,1-4H3,(H,22,26)(H,23,27)
InChIKeySIPJPEOASMLPPE-UHFFFAOYSA-N
XLogP3.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-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

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide
CID 117650402
App-butinaca
CID 154735174
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86280478
Adb-chminaca
CID 68894304
5-Fluoro-AB-PINACA
CID 91936927

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide (CID 110615690) is 5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide is CNC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is SIPJPEOASMLPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-9-10-15(11-14(13)2)19-12-18(24-25(19)4)21(27)23-17-8-6-5-7-16(17)20(26)22-3/h5-12H,1-4H3,(H,22,26)(H,23,27).
What are the key properties of 5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110615690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).