2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone

C13H15BrF3N3O2 — CID 35294126

IUPAC2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)N1CCOCC1
InChIInChI=1S/C13H15BrF3N3O2/c14-10-11(8-1-2-8)20(18-12(10)13(15,16)17)7-9(21)19-3-5-22-6-4-19/h8H,1-7H2
InChIKeyKGXJRBOMGUFGBH-UHFFFAOYSA-N
MW382.18 g/mol
LogP2.40
Rot. Bonds3

About 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone

2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 35294126) has the molecular formula C13H15BrF3N3O2 and a molecular weight of 382.18 g/mol. Its IUPAC name is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID35294126
Molecular FormulaC13H15BrF3N3O2
Molecular Weight382.18 g/mol
Exact Mass381.03
IUPAC Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)N1CCOCC1
InChIInChI=1S/C13H15BrF3N3O2/c14-10-11(8-1-2-8)20(18-12(10)13(15,16)17)7-9(21)19-3-5-22-6-4-19/h8H,1-7H2
InChIKeyKGXJRBOMGUFGBH-UHFFFAOYSA-N
XLogP2.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 1100799
Ethyl 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 6620904
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-morpholin-4-ylethan-1-one
CID 1100796
3-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-morpholinopropanamide
CID 4768094
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 35294393
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone
CID 35294398
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 35294404
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide
CID 19519993
1-(morpholin-4-yl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]ethanone
CID 1223613
4-{2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}morpholine
CID 4768333
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-cyclohexylacetamide
CID 4769408
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 4770618

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone (CID 35294126) is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone is O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)N1CCOCC1.
What is the InChIKey of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is KGXJRBOMGUFGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3N3O2/c14-10-11(8-1-2-8)20(18-12(10)13(15,16)17)7-9(21)19-3-5-22-6-4-19/h8H,1-7H2.
What are the key properties of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 382.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 35294126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).