N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide

C23H28N4O — CID 122557349

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide
SMILESCc1nn(C)cc1-c1ccc(C(=O)N(C)Cc2ccccc2CN(C)C)cc1
InChIInChI=1S/C23H28N4O/c1-17-22(16-27(5)24-17)18-10-12-19(13-11-18)23(28)26(4)15-21-9-7-6-8-20(21)14-25(2)3/h6-13,16H,14-15H2,1-5H3
InChIKeyZCPBNKVMSXXYDB-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.73
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide (PubChem CID 122557349) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide
PubChem CID122557349
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide
SMILESCc1nn(C)cc1-c1ccc(C(=O)N(C)Cc2ccccc2CN(C)C)cc1
InChIInChI=1S/C23H28N4O/c1-17-22(16-27(5)24-17)18-10-12-19(13-11-18)23(28)26(4)15-21-9-7-6-8-20(21)14-25(2)3/h6-13,16H,14-15H2,1-5H3
InChIKeyZCPBNKVMSXXYDB-UHFFFAOYSA-N
XLogP3.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide 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-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 131938566
methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate
CID 122570443
N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide
CID 125177614
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-phenylbenzamide
CID 19456480
4-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-N-methylbenzamide
CID 121269395
4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide
CID 122562004
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide
CID 119065620
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 56817769
1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one
CID 82540854
N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126875
[4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone
CID 122570111

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide (CID 122557349) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide is Cc1nn(C)cc1-c1ccc(C(=O)N(C)Cc2ccccc2CN(C)C)cc1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide?
The InChIKey is ZCPBNKVMSXXYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-22(16-27(5)24-17)18-10-12-19(13-11-18)23(28)26(4)15-21-9-7-6-8-20(21)14-25(2)3/h6-13,16H,14-15H2,1-5H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide has a molecular weight of 376.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide is sourced from PubChem (CID 122557349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).