2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide

C19H19F3N6O3 — CID 4771662

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C19H19F3N6O3/c20-19(21,22)15-9-14(11-1-2-11)28(24-15)10-16(29)23-12-3-4-13(18-17(12)25-31-26-18)27-5-7-30-8-6-27/h3-4,9,11H,1-2,5-8,10H2,(H,23,29)
InChIKeyZKOMPMXGURMAEL-UHFFFAOYSA-N
MW436.39 g/mol
LogP2.79
Rot. Bonds5

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide (PubChem CID 4771662) has the molecular formula C19H19F3N6O3 and a molecular weight of 436.39 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide
PubChem CID4771662
Molecular FormulaC19H19F3N6O3
Molecular Weight436.39 g/mol
Exact Mass436.15
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C19H19F3N6O3/c20-19(21,22)15-9-14(11-1-2-11)28(24-15)10-16(29)23-12-3-4-13(18-17(12)25-31-26-18)27-5-7-30-8-6-27/h3-4,9,11H,1-2,5-8,10H2,(H,23,29)
InChIKeyZKOMPMXGURMAEL-UHFFFAOYSA-N
XLogP2.79
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19526362
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide
CID 4088765
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)cyclopentanecarboxamide
CID 752810
N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19520861
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 19520940
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 843383
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 843342
1-cyclopropyl-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)thiourea
CID 17380861
N-(3-chloro-4-fluorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 998379
1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea
CID 2954287
(1R,2S,3S,4R)-3-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124722411

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide (CID 4771662) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(N2CCOCC2)c2nonc12.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide?
The InChIKey is ZKOMPMXGURMAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O3/c20-19(21,22)15-9-14(11-1-2-11)28(24-15)10-16(29)23-12-3-4-13(18-17(12)25-31-26-18)27-5-7-30-8-6-27/h3-4,9,11H,1-2,5-8,10H2,(H,23,29).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide has a molecular weight of 436.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)acetamide is sourced from PubChem (CID 4771662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).