3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide

C24H28ClFN4O — CID 110281663

IUPAC3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
SMILESCc1nn(Cc2cccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)c2)c(C)c1Cl
InChIInChI=1S/C24H28ClFN4O/c1-16-23(25)17(2)30(28-16)15-18-6-5-7-20(14-18)24(31)27-22(12-13-29(3)4)19-8-10-21(26)11-9-19/h5-11,14,22H,12-13,15H2,1-4H3,(H,27,31)
InChIKeySYLPJSLPFDKALQ-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.76
Rot. Bonds8

About 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide

3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide (PubChem CID 110281663) has the molecular formula C24H28ClFN4O and a molecular weight of 442.97 g/mol. Its IUPAC name is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide.

Molecular Properties

Compound Name3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
PubChem CID110281663
Molecular FormulaC24H28ClFN4O
Molecular Weight442.97 g/mol
Exact Mass442.19
IUPAC Name3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
SMILESCc1nn(Cc2cccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)c2)c(C)c1Cl
InChIInChI=1S/C24H28ClFN4O/c1-16-23(25)17(2)30(28-16)15-18-6-5-7-20(14-18)24(31)27-22(12-13-29(3)4)19-8-10-21(26)11-9-19/h5-11,14,22H,12-13,15H2,1-4H3,(H,27,31)
InChIKeySYLPJSLPFDKALQ-UHFFFAOYSA-N
XLogP4.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]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

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
CID 110281659
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]furan-2-carboxamide
CID 110281612
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 110279813
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 110281662
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide
CID 110281594
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 1091765
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(tetrazol-1-yl)benzamide
CID 110278520
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylbenzamide
CID 24953415
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408425
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
CID 110281862
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345931

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide?
The IUPAC name of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide (CID 110281663) is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide.
What is the SMILES notation for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide?
The canonical SMILES for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide is Cc1nn(Cc2cccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)c2)c(C)c1Cl.
What is the InChIKey of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide?
The InChIKey is SYLPJSLPFDKALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O/c1-16-23(25)17(2)30(28-16)15-18-6-5-7-20(14-18)24(31)27-22(12-13-29(3)4)19-8-10-21(26)11-9-19/h5-11,14,22H,12-13,15H2,1-4H3,(H,27,31).
What are the key properties of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide?
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide has a molecular weight of 442.97 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide is sourced from PubChem (CID 110281663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).