1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C14H16F3N5O2 — CID 110105325

IUPAC1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cnc(C2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)[nH]1
InChIInChI=1S/C14H16F3N5O2/c1-9-6-18-13(19-9)10-7-21(4-5-24-10)12(23)8-22-3-2-11(20-22)14(15,16)17/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyVJKWBSMGQRZCSR-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.53
Rot. Bonds3

About 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 110105325) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID110105325
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cnc(C2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)[nH]1
InChIInChI=1S/C14H16F3N5O2/c1-9-6-18-13(19-9)10-7-21(4-5-24-10)12(23)8-22-3-2-11(20-22)14(15,16)17/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyVJKWBSMGQRZCSR-UHFFFAOYSA-N
XLogP1.53
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 110105325) is 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is Cc1cnc(C2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)[nH]1.
What is the InChIKey of 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is VJKWBSMGQRZCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-9-6-18-13(19-9)10-7-21(4-5-24-10)12(23)8-22-3-2-11(20-22)14(15,16)17/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 343.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 110105325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).