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

C23H24ClFN4O3 — CID 20924163

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CCNCC2)cc1Cl
InChIInChI=1S/C23H24ClFN4O3/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)
InChIKeyGEHSZZVXQQGHQG-UHFFFAOYSA-N
MW458.92 g/mol
LogP4.40
Rot. Bonds6

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

N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20924163) has the molecular formula C23H24ClFN4O3 and a molecular weight of 458.92 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20924163
Molecular FormulaC23H24ClFN4O3
Molecular Weight458.92 g/mol
Exact Mass458.15
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CCNCC2)cc1Cl
InChIInChI=1S/C23H24ClFN4O3/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)
InChIKeyGEHSZZVXQQGHQG-UHFFFAOYSA-N
XLogP4.40
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 54.40
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;hydrochloride
CID 146053338
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-(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
N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923962
1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053221
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867340

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20924163) is N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is COc1cc(OC)c(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CCNCC2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is GEHSZZVXQQGHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3/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).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 458.92 g/mol, XLogP of 4.40, 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 is sourced from PubChem (CID 20924163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).