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

C22H24F3N5O2S — CID 90448776

IUPAC5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)nn1CCN1CCOCC1
InChIInChI=1S/C22H24F3N5O2S/c1-15-12-19(28-30(15)7-6-29-8-10-32-11-9-29)20(31)27-21-26-14-18(33-21)13-16-2-4-17(5-3-16)22(23,24)25/h2-5,12,14H,6-11,13H2,1H3,(H,26,27,31)
InChIKeyUSRVEMUJZALBGH-UHFFFAOYSA-N
MW479.53 g/mol
LogP3.84
Rot. Bonds7

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

5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 90448776) has the molecular formula C22H24F3N5O2S and a molecular weight of 479.53 g/mol. Its IUPAC name is 5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID90448776
Molecular FormulaC22H24F3N5O2S
Molecular Weight479.53 g/mol
Exact Mass479.16
IUPAC Name5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)nn1CCN1CCOCC1
InChIInChI=1S/C22H24F3N5O2S/c1-15-12-19(28-30(15)7-6-29-8-10-32-11-9-29)20(31)27-21-26-14-18(33-21)13-16-2-4-17(5-3-16)22(23,24)25/h2-5,12,14H,6-11,13H2,1H3,(H,26,27,31)
InChIKeyUSRVEMUJZALBGH-UHFFFAOYSA-N
XLogP3.84
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 90448776) is 5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)nn1CCN1CCOCC1.
What is the InChIKey of 5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is USRVEMUJZALBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2S/c1-15-12-19(28-30(15)7-6-29-8-10-32-11-9-29)20(31)27-21-26-14-18(33-21)13-16-2-4-17(5-3-16)22(23,24)25/h2-5,12,14H,6-11,13H2,1H3,(H,26,27,31).
What are the key properties of 5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-morpholin-4-ylethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 90448776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).