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

C24H28ClFN4O — CID 110281659

IUPAC4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
SMILESCc1nn(Cc2ccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)cc2)c(C)c1Cl
InChIInChI=1S/C24H28ClFN4O/c1-16-23(25)17(2)30(28-16)15-18-5-7-20(8-6-18)24(31)27-22(13-14-29(3)4)19-9-11-21(26)12-10-19/h5-12,22H,13-15H2,1-4H3,(H,27,31)
InChIKeyAYLPCXDQEHYNIN-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.76
Rot. Bonds8

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

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide (PubChem CID 110281659) has the molecular formula C24H28ClFN4O and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide.

Molecular Properties

Compound Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
PubChem CID110281659
Molecular FormulaC24H28ClFN4O
Molecular Weight442.97 g/mol
Exact Mass442.19
IUPAC Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
SMILESCc1nn(Cc2ccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)cc2)c(C)c1Cl
InChIInChI=1S/C24H28ClFN4O/c1-16-23(25)17(2)30(28-16)15-18-5-7-20(8-6-18)24(31)27-22(13-14-29(3)4)19-9-11-21(26)12-10-19/h5-12,22H,13-15H2,1-4H3,(H,27,31)
InChIKeyAYLPCXDQEHYNIN-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 4-[(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

3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
CID 110281663
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 110281662
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]furan-2-carboxamide
CID 110281612
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide
CID 110281864
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
CID 110281894
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-nitrobenzamide
CID 110281831
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide
CID 110281594
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
CID 110281862
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415071
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 110281615
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278378

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide?
The IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide (CID 110281659) is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide.
What is the SMILES notation for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide?
The canonical SMILES for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide is Cc1nn(Cc2ccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)cc2)c(C)c1Cl.
What is the InChIKey of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide?
The InChIKey is AYLPCXDQEHYNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O/c1-16-23(25)17(2)30(28-16)15-18-5-7-20(8-6-18)24(31)27-22(13-14-29(3)4)19-9-11-21(26)12-10-19/h5-12,22H,13-15H2,1-4H3,(H,27,31).
What are the key properties of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide?
4-[(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 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide is sourced from PubChem (CID 110281659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).