N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

C22H23Cl2FN4O2 — CID 146053351

IUPACN-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(F)c2)c1C1CCNCC1.Cl
InChIInChI=1S/C22H22ClFN4O2.ClH/c1-30-20-6-5-15(23)11-19(20)27-22(29)18-13-26-28(17-4-2-3-16(24)12-17)21(18)14-7-9-25-10-8-14;/h2-6,11-14,25H,7-10H2,1H3,(H,27,29);1H
InChIKeyMAZOCIHHZJGTKX-UHFFFAOYSA-N
MW465.36 g/mol
LogP4.81
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 146053351) has the molecular formula C22H23Cl2FN4O2 and a molecular weight of 465.36 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID146053351
Molecular FormulaC22H23Cl2FN4O2
Molecular Weight465.36 g/mol
Exact Mass464.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(F)c2)c1C1CCNCC1.Cl
InChIInChI=1S/C22H22ClFN4O2.ClH/c1-30-20-6-5-15(23)11-19(20)27-22(29)18-13-26-28(17-4-2-3-16(24)12-17)21(18)14-7-9-25-10-8-14;/h2-6,11-14,25H,7-10H2,1H3,(H,27,29);1H
InChIKeyMAZOCIHHZJGTKX-UHFFFAOYSA-N
XLogP4.81
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053338
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924163
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053366
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053336
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924166
1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053221
N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20866625
N-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854855
1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride
CID 146059779
N-(5-chloro-2,4-dimethoxyphenyl)-5-piperidin-4-yl-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 146053416
N-(4-chlorophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053171

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 146053351) is N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is COc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(F)c2)c1C1CCNCC1.Cl.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is MAZOCIHHZJGTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O2.ClH/c1-30-20-6-5-15(23)11-19(20)27-22(29)18-13-26-28(17-4-2-3-16(24)12-17)21(18)14-7-9-25-10-8-14;/h2-6,11-14,25H,7-10H2,1H3,(H,27,29);1H.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 465.36 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146053351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).