1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H24ClF3N4O2 — CID 46419340

IUPAC1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CN(C(C)CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)CC(C)O1
InChIInChI=1S/C20H24ClF3N4O2/c1-12(27-10-13(2)30-14(3)11-27)8-25-19(29)17-9-26-28(18(17)20(22,23)24)16-6-4-5-15(21)7-16/h4-7,9,12-14H,8,10-11H2,1-3H3,(H,25,29)
InChIKeyARYWDHSAUORRCI-UHFFFAOYSA-N
MW444.89 g/mol
LogP3.77
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 46419340) has the molecular formula C20H24ClF3N4O2 and a molecular weight of 444.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID46419340
Molecular FormulaC20H24ClF3N4O2
Molecular Weight444.89 g/mol
Exact Mass444.15
IUPAC Name1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CN(C(C)CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)CC(C)O1
InChIInChI=1S/C20H24ClF3N4O2/c1-12(27-10-13(2)30-14(3)11-27)8-25-19(29)17-9-26-28(18(17)20(22,23)24)16-6-4-5-15(21)7-16/h4-7,9,12-14H,8,10-11H2,1-3H3,(H,25,29)
InChIKeyARYWDHSAUORRCI-UHFFFAOYSA-N
XLogP3.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.89
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 46419340) is 1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CC1CN(C(C)CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)CC(C)O1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ARYWDHSAUORRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClF3N4O2/c1-12(27-10-13(2)30-14(3)11-27)8-25-19(29)17-9-26-28(18(17)20(22,23)24)16-6-4-5-15(21)7-16/h4-7,9,12-14H,8,10-11H2,1-3H3,(H,25,29).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 444.89 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46419340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).