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

C14H16F3N5O2 — CID 124987237

IUPAC1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cnc([C@H]2COCCN2C(=O)Cn2ccc(C(F)(F)F)n2)[nH]1
InChIInChI=1S/C14H16F3N5O2/c1-9-6-18-13(19-9)10-8-24-5-4-22(10)12(23)7-21-3-2-11(20-21)14(15,16)17/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyOEDPSBIPZGDFBI-SNVBAGLBSA-N
MW343.31 g/mol
LogP1.53
Rot. Bonds3

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

1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 124987237) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID124987237
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cnc([C@H]2COCCN2C(=O)Cn2ccc(C(F)(F)F)n2)[nH]1
InChIInChI=1S/C14H16F3N5O2/c1-9-6-18-13(19-9)10-8-24-5-4-22(10)12(23)7-21-3-2-11(20-21)14(15,16)17/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyOEDPSBIPZGDFBI-SNVBAGLBSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 124987237) is 1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is Cc1cnc([C@H]2COCCN2C(=O)Cn2ccc(C(F)(F)F)n2)[nH]1.
What is the InChIKey of 1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is OEDPSBIPZGDFBI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-9-6-18-13(19-9)10-8-24-5-4-22(10)12(23)7-21-3-2-11(20-21)14(15,16)17/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[(3S)-3-(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-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 124987237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).