2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C23H26ClFN4O — CID 119461433

IUPAC2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCC1CCCNC1
InChIInChI=1S/C23H25FN4O.ClH/c24-20-10-8-18(9-11-20)23-19(16-28(27-23)21-6-2-1-3-7-21)13-22(29)26-15-17-5-4-12-25-14-17;/h1-3,6-11,16-17,25H,4-5,12-15H2,(H,26,29);1H
InChIKeyVMFJFXACRMMZQR-UHFFFAOYSA-N
MW428.94 g/mol
LogP3.76
Rot. Bonds6

About 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119461433) has the molecular formula C23H26ClFN4O and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119461433
Molecular FormulaC23H26ClFN4O
Molecular Weight428.94 g/mol
Exact Mass428.18
IUPAC Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCC1CCCNC1
InChIInChI=1S/C23H25FN4O.ClH/c24-20-10-8-18(9-11-20)23-19(16-28(27-23)21-6-2-1-3-7-21)13-22(29)26-15-17-5-4-12-25-14-17;/h1-3,6-11,16-17,25H,4-5,12-15H2,(H,26,29);1H
InChIKeyVMFJFXACRMMZQR-UHFFFAOYSA-N
XLogP3.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride 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

2-(cyclopropylmethylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide;hydrochloride
CID 119694555
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
CID 119459838
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119459875
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119459876
1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119461356
N-[1-(aminomethyl)cyclopentyl]-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 119566079
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119462604
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 3371751
2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463131
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119461433) is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cl.O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCC1CCCNC1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is VMFJFXACRMMZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O.ClH/c24-20-10-8-18(9-11-20)23-19(16-28(27-23)21-6-2-1-3-7-21)13-22(29)26-15-17-5-4-12-25-14-17;/h1-3,6-11,16-17,25H,4-5,12-15H2,(H,26,29);1H.
What are the key properties of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 428.94 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119461433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).