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

C23H25Cl2FN4O3 — CID 146053338

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CCNCC2)cc1Cl.Cl
InChIInChI=1S/C23H24ClFN4O3.ClH/c1-31-20-12-21(32-2)19(11-18(20)24)28-23(30)17-13-27-29(16-5-3-4-15(25)10-16)22(17)14-6-8-26-9-7-14;/h3-5,10-14,26H,6-9H2,1-2H3,(H,28,30);1H
InChIKeySTKAXXHTBLZMGP-UHFFFAOYSA-N
MW495.38 g/mol
LogP4.82
Rot. Bonds6

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

N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 146053338) has the molecular formula C23H25Cl2FN4O3 and a molecular weight of 495.38 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID146053338
Molecular FormulaC23H25Cl2FN4O3
Molecular Weight495.38 g/mol
Exact Mass494.13
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CCNCC2)cc1Cl.Cl
InChIInChI=1S/C23H24ClFN4O3.ClH/c1-31-20-12-21(32-2)19(11-18(20)24)28-23(30)17-13-27-29(16-5-3-4-15(25)10-16)22(17)14-6-8-26-9-7-14;/h3-5,10-14,26H,6-9H2,1-2H3,(H,28,30);1H
InChIKeySTKAXXHTBLZMGP-UHFFFAOYSA-N
XLogP4.82
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053351
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053336
N-(5-chloro-2,4-dimethoxyphenyl)-5-piperidin-4-yl-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 146053416
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924166
N-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20866625
1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053221
N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854855
N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923962
1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053363

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 146053338) is N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is COc1cc(OC)c(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CCNCC2)cc1Cl.Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is STKAXXHTBLZMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3.ClH/c1-31-20-12-21(32-2)19(11-18(20)24)28-23(30)17-13-27-29(16-5-3-4-15(25)10-16)22(17)14-6-8-26-9-7-14;/h3-5,10-14,26H,6-9H2,1-2H3,(H,28,30);1H.
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 495.38 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146053338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).