2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide

C26H30ClFN4O — CID 25107199

IUPAC2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide
SMILESCc1nn(C2CCN(Cc3ccccc3)CC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C26H30ClFN4O/c1-18-24(15-26(33)29-16-21-8-9-22(28)14-25(21)27)19(2)32(30-18)23-10-12-31(13-11-23)17-20-6-4-3-5-7-20/h3-9,14,23H,10-13,15-17H2,1-2H3,(H,29,33)
InChIKeyPFCQNQGDHFAUDQ-UHFFFAOYSA-N
MW469.00 g/mol
LogP4.99
Rot. Bonds7

About 2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide

2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide (PubChem CID 25107199) has the molecular formula C26H30ClFN4O and a molecular weight of 469.00 g/mol. Its IUPAC name is 2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide
PubChem CID25107199
Molecular FormulaC26H30ClFN4O
Molecular Weight469.00 g/mol
Exact Mass468.21
IUPAC Name2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide
SMILESCc1nn(C2CCN(Cc3ccccc3)CC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C26H30ClFN4O/c1-18-24(15-26(33)29-16-21-8-9-22(28)14-25(21)27)19(2)32(30-18)23-10-12-31(13-11-23)17-20-6-4-3-5-7-20/h3-9,14,23H,10-13,15-17H2,1-2H3,(H,29,33)
InChIKeyPFCQNQGDHFAUDQ-UHFFFAOYSA-N
XLogP4.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.00
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645929
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645930
N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9209741
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9268807
2-(4-(4-chlorophenethyl)-1-ethyl-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 25063628
2-(1-ethyl-4-(2-fluorophenethyl)-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 25063701
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106221
N-[(2,3-dichlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106484
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106658
N-[(2-chloro-4-fluorophenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 25106660
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2-chloro-4-fluorophenyl)methyl]acetamide
CID 25106741

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide (CID 25107199) is 2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide is Cc1nn(C2CCN(Cc3ccccc3)CC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of 2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide?
The InChIKey is PFCQNQGDHFAUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN4O/c1-18-24(15-26(33)29-16-21-8-9-22(28)14-25(21)27)19(2)32(30-18)23-10-12-31(13-11-23)17-20-6-4-3-5-7-20/h3-9,14,23H,10-13,15-17H2,1-2H3,(H,29,33).
What are the key properties of 2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide?
2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide has a molecular weight of 469.00 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 25107199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).