N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C18H22F3N5O3 — CID 86927595

IUPACN-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(O)CN2CCOCC2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H22F3N5O3/c1-12-15(17(28)23-9-14(27)11-25-4-6-29-7-5-25)10-24-26(12)16-3-2-13(8-22-16)18(19,20)21/h2-3,8,10,14,27H,4-7,9,11H2,1H3,(H,23,28)
InChIKeyMGIVRZIAFVRIIY-UHFFFAOYSA-N
MW413.40 g/mol
LogP1.02
Rot. Bonds6

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 86927595) has the molecular formula C18H22F3N5O3 and a molecular weight of 413.40 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID86927595
Molecular FormulaC18H22F3N5O3
Molecular Weight413.40 g/mol
Exact Mass413.17
IUPAC NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(O)CN2CCOCC2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H22F3N5O3/c1-12-15(17(28)23-9-14(27)11-25-4-6-29-7-5-25)10-24-26(12)16-3-2-13(8-22-16)18(19,20)21/h2-3,8,10,14,27H,4-7,9,11H2,1H3,(H,23,28)
InChIKeyMGIVRZIAFVRIIY-UHFFFAOYSA-N
XLogP1.02
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55649454
1-(2-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112818169
N-(2-methylpropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041621
(1-morpholin-4-yl-1-oxopropan-2-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 46545407
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46446838
N-[(5-bromothiophen-2-yl)methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 32822847
N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 110000971
N-ethyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25331750
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 32992071
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
N-[4-(azepan-1-yl)phenyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55510180
5-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 34761380

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 86927595) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCC(O)CN2CCOCC2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is MGIVRZIAFVRIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O3/c1-12-15(17(28)23-9-14(27)11-25-4-6-29-7-5-25)10-24-26(12)16-3-2-13(8-22-16)18(19,20)21/h2-3,8,10,14,27H,4-7,9,11H2,1H3,(H,23,28).
What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 413.40 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86927595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).