3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide

C23H27N5O2 — CID 56516138

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)CCNC(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C23H27N5O2/c1-17-15-18(2)28(26-17)21-12-8-7-11-20(21)25-22(29)13-14-24-23(30)27(3)16-19-9-5-4-6-10-19/h4-12,15H,13-14,16H2,1-3H3,(H,24,30)(H,25,29)
InChIKeyREDZKWXWIPNOEG-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.66
Rot. Bonds7

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide (PubChem CID 56516138) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
PubChem CID56516138
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)CCNC(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C23H27N5O2/c1-17-15-18(2)28(26-17)21-12-8-7-11-20(21)25-22(29)13-14-24-23(30)27(3)16-19-9-5-4-6-10-19/h4-12,15H,13-14,16H2,1-3H3,(H,24,30)(H,25,29)
InChIKeyREDZKWXWIPNOEG-UHFFFAOYSA-N
XLogP3.66
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide 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-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(prop-2-enoylamino)propanamide
CID 71912633
N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 120568392
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea
CID 47033804
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
2-[3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]pyrazol-1-yl]acetic acid
CID 119231174
3-[[benzyl(methyl)carbamoyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60577555
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 55670156
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336833
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide
CID 56514095

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide (CID 56516138) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide is Cc1cc(C)n(-c2ccccc2NC(=O)CCNC(=O)N(C)Cc2ccccc2)n1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide?
The InChIKey is REDZKWXWIPNOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17-15-18(2)28(26-17)21-12-8-7-11-20(21)25-22(29)13-14-24-23(30)27(3)16-19-9-5-4-6-10-19/h4-12,15H,13-14,16H2,1-3H3,(H,24,30)(H,25,29).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 56516138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).