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

C21H27F3N4O2 — CID 43051952

IUPAC5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CN(CC(C)C)CCO2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H27F3N4O2/c1-14(2)12-27-7-8-30-18(13-27)10-25-20(29)19-11-26-28(15(19)3)17-6-4-5-16(9-17)21(22,23)24/h4-6,9,11,14,18H,7-8,10,12-13H2,1-3H3,(H,25,29)
InChIKeyGOAKTZRQAQYFMQ-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.29
Rot. Bonds6

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

5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 43051952) has the molecular formula C21H27F3N4O2 and a molecular weight of 424.47 g/mol. Its IUPAC name is 5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID43051952
Molecular FormulaC21H27F3N4O2
Molecular Weight424.47 g/mol
Exact Mass424.21
IUPAC Name5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CN(CC(C)C)CCO2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H27F3N4O2/c1-14(2)12-27-7-8-30-18(13-27)10-25-20(29)19-11-26-28(15(19)3)17-6-4-5-16(9-17)21(22,23)24/h4-6,9,11,14,18H,7-8,10,12-13H2,1-3H3,(H,25,29)
InChIKeyGOAKTZRQAQYFMQ-UHFFFAOYSA-N
XLogP3.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 42944288
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 55409622
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427210
(2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 95769157
N-[(2S)-1-aminopropan-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120506039
5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 35257790
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide
CID 100672511
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide
CID 47013454
N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119599457

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 43051952) is 5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCC2CN(CC(C)C)CCO2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is GOAKTZRQAQYFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O2/c1-14(2)12-27-7-8-30-18(13-27)10-25-20(29)19-11-26-28(15(19)3)17-6-4-5-16(9-17)21(22,23)24/h4-6,9,11,14,18H,7-8,10,12-13H2,1-3H3,(H,25,29).
What are the key properties of 5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 43051952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).