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

C23H25Cl2FN4O2 — CID 146053366

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2cccc(F)c2)c1C1CCNCC1.Cl
InChIInChI=1S/C23H24ClFN4O2.ClH/c1-14-10-20(21(31-2)12-19(14)24)28-23(30)18-13-27-29(17-5-3-4-16(25)11-17)22(18)15-6-8-26-9-7-15;/h3-5,10-13,15,26H,6-9H2,1-2H3,(H,28,30);1H
InChIKeyZEPNAKDBJYSVLW-UHFFFAOYSA-N
MW479.38 g/mol
LogP5.12
Rot. Bonds5

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

N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 146053366) has the molecular formula C23H25Cl2FN4O2 and a molecular weight of 479.38 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID146053366
Molecular FormulaC23H25Cl2FN4O2
Molecular Weight479.38 g/mol
Exact Mass478.13
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2cccc(F)c2)c1C1CCNCC1.Cl
InChIInChI=1S/C23H24ClFN4O2.ClH/c1-14-10-20(21(31-2)12-19(14)24)28-23(30)18-13-27-29(17-5-3-4-16(25)11-17)22(18)15-6-8-26-9-7-15;/h3-5,10-13,15,26H,6-9H2,1-2H3,(H,28,30);1H
InChIKeyZEPNAKDBJYSVLW-UHFFFAOYSA-N
XLogP5.12
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.38
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 146053366) is N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2cccc(F)c2)c1C1CCNCC1.Cl.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is ZEPNAKDBJYSVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2.ClH/c1-14-10-20(21(31-2)12-19(14)24)28-23(30)18-13-27-29(17-5-3-4-16(25)11-17)22(18)15-6-8-26-9-7-15;/h3-5,10-13,15,26H,6-9H2,1-2H3,(H,28,30);1H.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 479.38 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146053366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).