N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide

C21H24N4O — CID 86906690

IUPACN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C21H24N4O/c1-15-5-10-19(16(2)13-15)21(26)23-20-11-12-22-25(20)14-17-6-8-18(9-7-17)24(3)4/h5-13H,14H2,1-4H3,(H,23,26)
InChIKeyIZPRLHZYELMCEH-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.87
Rot. Bonds5

About N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide

N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide (PubChem CID 86906690) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide
PubChem CID86906690
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C21H24N4O/c1-15-5-10-19(16(2)13-15)21(26)23-20-11-12-22-25(20)14-17-6-8-18(9-7-17)24(3)4/h5-13H,14H2,1-4H3,(H,23,26)
InChIKeyIZPRLHZYELMCEH-UHFFFAOYSA-N
XLogP3.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-methylsulfonylbenzamide
CID 78806729
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
5-bromo-2-iodo-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 112797900
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide
CID 35673443
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 78826203
4-(difluoromethoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 78806598
6-chloro-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 78810846
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 112797938
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-(4-fluorophenyl)propanamide
CID 78806750
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 86906675
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86914651
N-[2-[[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86883842

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide (CID 86906690) is N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(N(C)C)cc2)c(C)c1.
What is the InChIKey of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide?
The InChIKey is IZPRLHZYELMCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-5-10-19(16(2)13-15)21(26)23-20-11-12-22-25(20)14-17-6-8-18(9-7-17)24(3)4/h5-13H,14H2,1-4H3,(H,23,26).
What are the key properties of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide?
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide has a molecular weight of 348.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 86906690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).