3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide

C24H28ClN3O2 — CID 110279813

IUPAC3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCc1nn(Cc2cccc(C(=O)NCC(O)c3ccc(C(C)C)cc3)c2)c(C)c1Cl
InChIInChI=1S/C24H28ClN3O2/c1-15(2)19-8-10-20(11-9-19)22(29)13-26-24(30)21-7-5-6-18(12-21)14-28-17(4)23(25)16(3)27-28/h5-12,15,22,29H,13-14H2,1-4H3,(H,26,30)
InChIKeyLCPVCSDRYQOPDG-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.79
Rot. Bonds7

About 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide

3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 110279813) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
PubChem CID110279813
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCc1nn(Cc2cccc(C(=O)NCC(O)c3ccc(C(C)C)cc3)c2)c(C)c1Cl
InChIInChI=1S/C24H28ClN3O2/c1-15(2)19-8-10-20(11-9-19)22(29)13-26-24(30)21-7-5-6-18(12-21)14-28-17(4)23(25)16(3)27-28/h5-12,15,22,29H,13-14H2,1-4H3,(H,26,30)
InChIKeyLCPVCSDRYQOPDG-UHFFFAOYSA-N
XLogP4.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 1091765
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290273
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
CID 110281663
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408425
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19408332
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19404180
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345931
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285483
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
3-[[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]benzoic acid
CID 91644937
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19295429
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19525315

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide (CID 110279813) is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide is Cc1nn(Cc2cccc(C(=O)NCC(O)c3ccc(C(C)C)cc3)c2)c(C)c1Cl.
What is the InChIKey of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is LCPVCSDRYQOPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-15(2)19-8-10-20(11-9-19)22(29)13-26-24(30)21-7-5-6-18(12-21)14-28-17(4)23(25)16(3)27-28/h5-12,15,22,29H,13-14H2,1-4H3,(H,26,30).
What are the key properties of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide?
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 425.96 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 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-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 110279813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).