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

C22H22ClFN4O2 — CID 6622597

IUPACN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C1CCNCC1
InChIInChI=1S/C22H22ClFN4O2/c1-30-20-7-2-15(23)12-19(20)27-22(29)18-13-26-28(17-5-3-16(24)4-6-17)21(18)14-8-10-25-11-9-14/h2-7,12-14,25H,8-11H2,1H3,(H,27,29)
InChIKeyWXKUCGBCLUBQTF-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.39
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 6622597) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID6622597
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C1CCNCC1
InChIInChI=1S/C22H22ClFN4O2/c1-30-20-7-2-15(23)12-19(20)27-22(29)18-13-26-28(17-5-3-16(24)4-6-17)21(18)14-8-10-25-11-9-14/h2-7,12-14,25H,8-11H2,1H3,(H,27,29)
InChIKeyWXKUCGBCLUBQTF-UHFFFAOYSA-N
XLogP4.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 6622597) is N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C1CCNCC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is WXKUCGBCLUBQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O2/c1-30-20-7-2-15(23)12-19(20)27-22(29)18-13-26-28(17-5-3-16(24)4-6-17)21(18)14-8-10-25-11-9-14/h2-7,12-14,25H,8-11H2,1H3,(H,27,29).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 4.39, 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-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 6622597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).