2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide

C12H17F3N4O2 — CID 75499428

IUPAC2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide
SMILESCC1OCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1C
InChIInChI=1S/C12H17F3N4O2/c1-8-9(2)21-6-5-19(8)11(20)16-10-3-4-18(17-10)7-12(13,14)15/h3-4,8-9H,5-7H2,1-2H3,(H,16,17,20)
InChIKeyZTIVEKBUCMFDFY-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.09
Rot. Bonds2

About 2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide

2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide (PubChem CID 75499428) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide
PubChem CID75499428
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide
SMILESCC1OCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1C
InChIInChI=1S/C12H17F3N4O2/c1-8-9(2)21-6-5-19(8)11(20)16-10-3-4-18(17-10)7-12(13,14)15/h3-4,8-9H,5-7H2,1-2H3,(H,16,17,20)
InChIKeyZTIVEKBUCMFDFY-UHFFFAOYSA-N
XLogP2.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide 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 2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide (CID 75499428) is 2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide is CC1OCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1C.
What is the InChIKey of 2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide?
The InChIKey is ZTIVEKBUCMFDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-8-9(2)21-6-5-19(8)11(20)16-10-3-4-18(17-10)7-12(13,14)15/h3-4,8-9H,5-7H2,1-2H3,(H,16,17,20).
What are the key properties of 2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide?
2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 75499428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).