5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide

C25H28ClFN4O2 — CID 51966505

IUPAC5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)N1CCCCC1
InChIInChI=1S/C25H28ClFN4O2/c1-17-23(24(26)31(29-17)19-12-10-18(27)11-13-19)25(32)28-16-21(30-14-6-3-7-15-30)20-8-4-5-9-22(20)33-2/h4-5,8-13,21H,3,6-7,14-16H2,1-2H3,(H,28,32)/t21-/m1/s1
InChIKeyFXBWHUOKDDFMGR-OAQYLSRUSA-N
MW470.98 g/mol
LogP4.94
Rot. Bonds7

About 5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide (PubChem CID 51966505) has the molecular formula C25H28ClFN4O2 and a molecular weight of 470.98 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
PubChem CID51966505
Molecular FormulaC25H28ClFN4O2
Molecular Weight470.98 g/mol
Exact Mass470.19
IUPAC Name5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)N1CCCCC1
InChIInChI=1S/C25H28ClFN4O2/c1-17-23(24(26)31(29-17)19-12-10-18(27)11-13-19)25(32)28-16-21(30-14-6-3-7-15-30)20-8-4-5-9-22(20)33-2/h4-5,8-13,21H,3,6-7,14-16H2,1-2H3,(H,28,32)/t21-/m1/s1
InChIKeyFXBWHUOKDDFMGR-OAQYLSRUSA-N
XLogP4.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 43006258
1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30523169
3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
CID 42887024
1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46512755
5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2494653
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46493583
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
5-fluoro-2-hydroxy-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 95787960

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide (CID 51966505) is 5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide is COc1ccccc1[C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)N1CCCCC1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is FXBWHUOKDDFMGR-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28ClFN4O2/c1-17-23(24(26)31(29-17)19-12-10-18(27)11-13-19)25(32)28-16-21(30-14-6-3-7-15-30)20-8-4-5-9-22(20)33-2/h4-5,8-13,21H,3,6-7,14-16H2,1-2H3,(H,28,32)/t21-/m1/s1.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide?
5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 470.98 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 51966505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).