N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C24H24ClF3N4O2 — CID 55610218

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H24ClF3N4O2/c1-16-20(14-30-32(16)18-6-4-5-17(13-18)24(26,27)28)23(33)29-15-22(31-9-11-34-12-10-31)19-7-2-3-8-21(19)25/h2-8,13-14,22H,9-12,15H2,1H3,(H,29,33)
InChIKeyOHANBPSJSQKFNZ-UHFFFAOYSA-N
MW492.93 g/mol
LogP4.66
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55610218) has the molecular formula C24H24ClF3N4O2 and a molecular weight of 492.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID55610218
Molecular FormulaC24H24ClF3N4O2
Molecular Weight492.93 g/mol
Exact Mass492.15
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H24ClF3N4O2/c1-16-20(14-30-32(16)18-6-4-5-17(13-18)24(26,27)28)23(33)29-15-22(31-9-11-34-12-10-31)19-7-2-3-8-21(19)25/h2-8,13-14,22H,9-12,15H2,1H3,(H,29,33)
InChIKeyOHANBPSJSQKFNZ-UHFFFAOYSA-N
XLogP4.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.93
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 17467172
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-(3-chloro-2-methylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18206842
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,4-dimethylbenzamide
CID 46412391
N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 78850481
5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120642320
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119384458
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55712867
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 60509787
5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36701413
2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
CID 55609908

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 55610218) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCC(c2ccccc2Cl)N2CCOCC2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is OHANBPSJSQKFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O2/c1-16-20(14-30-32(16)18-6-4-5-17(13-18)24(26,27)28)23(33)29-15-22(31-9-11-34-12-10-31)19-7-2-3-8-21(19)25/h2-8,13-14,22H,9-12,15H2,1H3,(H,29,33).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 492.93 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55610218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).