N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

C21H20Cl3FN4O — CID 44522087

IUPACN-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESC1CNCCC1C2=C(C=NN2C3=CC=C(C=C3)F)C(=O)NC4=CC(=CC(=C4)Cl)Cl.Cl
InChIInChI=1S/C21H19Cl2FN4O.ClH/c22-14-9-15(23)11-17(10-14)27-21(29)19-12-26-28(18-3-1-16(24)2-4-18)20(19)13-5-7-25-8-6-13;/h1-4,9-13,25H,5-8H2,(H,27,29);1H
InChIKeyHWTRWEJKJJHTKS-UHFFFAOYSA-N
MW469.80 g/mol
LogP—
Rot. Bonds4

About N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 44522087) has the molecular formula C21H20Cl3FN4O and a molecular weight of 469.80 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID44522087
Molecular FormulaC21H20Cl3FN4O
Molecular Weight469.80 g/mol
Exact Mass468.07
IUPAC NameN-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESC1CNCCC1C2=C(C=NN2C3=CC=C(C=C3)F)C(=O)NC4=CC(=CC(=C4)Cl)Cl.Cl
InChIInChI=1S/C21H19Cl2FN4O.ClH/c22-14-9-15(23)11-17(10-14)27-21(29)19-12-26-28(18-3-1-16(24)2-4-18)20(19)13-5-7-25-8-6-13;/h1-4,9-13,25H,5-8H2,(H,27,29);1H
InChIKeyHWTRWEJKJJHTKS-UHFFFAOYSA-N
XLogP—
TPSA59.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity547

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
hCB1 Inhibitor, 2{1,1,1}
CID 11306424
hCB1 Inhibitor, 2{6,1,1}
CID 11475910
N-(3-chlorophenyl)-1-ethyl-5-methyl-4-pyrazolecarboxamide
CID 832064
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 16193474
N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 16193954
N-(3,5-dichlorophenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 16194080
1-(4-chlorophenyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 11211557
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 33948385
6-Chloro-N-(2-(1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)ethyl)nicotinamide
CID 46885190
N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide
CID 46887191

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 44522087) is N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is C1CNCCC1C2=C(C=NN2C3=CC=C(C=C3)F)C(=O)NC4=CC(=CC(=C4)Cl)Cl.Cl.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is HWTRWEJKJJHTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2FN4O.ClH/c22-14-9-15(23)11-17(10-14)27-21(29)19-12-26-28(18-3-1-16(24)2-4-18)20(19)13-5-7-25-8-6-13;/h1-4,9-13,25H,5-8H2,(H,27,29);1H.
What are the key properties of N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 469.80 g/mol, XLogP of not available, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 44522087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).