1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H24F3N5O3 — CID 86933154

IUPAC1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCC(=O)NCCN3CCOCC3)c2C(F)(F)F)cc1
InChIInChI=1S/C20H24F3N5O3/c1-14-2-4-15(5-3-14)28-18(20(21,22)23)16(12-26-28)19(30)25-13-17(29)24-6-7-27-8-10-31-11-9-27/h2-5,12H,6-11,13H2,1H3,(H,24,29)(H,25,30)
InChIKeyDUCXPHIIZWFWHI-UHFFFAOYSA-N
MW439.44 g/mol
LogP1.38
Rot. Bonds7

About 1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 86933154) has the molecular formula C20H24F3N5O3 and a molecular weight of 439.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID86933154
Molecular FormulaC20H24F3N5O3
Molecular Weight439.44 g/mol
Exact Mass439.18
IUPAC Name1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCC(=O)NCCN3CCOCC3)c2C(F)(F)F)cc1
InChIInChI=1S/C20H24F3N5O3/c1-14-2-4-15(5-3-14)28-18(20(21,22)23)16(12-26-28)19(30)25-13-17(29)24-6-7-27-8-10-31-11-9-27/h2-5,12H,6-11,13H2,1H3,(H,24,29)(H,25,30)
InChIKeyDUCXPHIIZWFWHI-UHFFFAOYSA-N
XLogP1.38
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55613253
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 44755743
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56559163
N-[3-(methylamino)propyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119433288
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 43051896
N-[2-(ethylamino)ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119508538
2-methyl-3-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119236703
4-methyl-4-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pentanamide
CID 110305480
1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 110305501
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
N-[4-(azepan-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465714
1-(4-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 30767998

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 86933154) is 1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NCC(=O)NCCN3CCOCC3)c2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DUCXPHIIZWFWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O3/c1-14-2-4-15(5-3-14)28-18(20(21,22)23)16(12-26-28)19(30)25-13-17(29)24-6-7-27-8-10-31-11-9-27/h2-5,12H,6-11,13H2,1H3,(H,24,29)(H,25,30).
What are the key properties of 1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86933154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).