(2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide

C10H14F3N5O2 — CID 167805709

IUPAC(2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)N(C)C1
InChIInChI=1S/C10H14F3N5O2/c1-18-4-5(20-2)3-6(18)7(19)14-9-15-8(16-17-9)10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17,19)/t5-,6-/m0/s1
InChIKeyWYIJHMJBEKMFFN-WDSKDSINSA-N
MW293.25 g/mol
LogP0.48
Rot. Bonds3

About (2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 167805709) has the molecular formula C10H14F3N5O2 and a molecular weight of 293.25 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide
PubChem CID167805709
Molecular FormulaC10H14F3N5O2
Molecular Weight293.25 g/mol
Exact Mass293.11
IUPAC Name(2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)N(C)C1
InChIInChI=1S/C10H14F3N5O2/c1-18-4-5(20-2)3-6(18)7(19)14-9-15-8(16-17-9)10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17,19)/t5-,6-/m0/s1
InChIKeyWYIJHMJBEKMFFN-WDSKDSINSA-N
XLogP0.48
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-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 (2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide (CID 167805709) is (2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)N(C)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is WYIJHMJBEKMFFN-WDSKDSINSA-N. The full InChI is InChI=1S/C10H14F3N5O2/c1-18-4-5(20-2)3-6(18)7(19)14-9-15-8(16-17-9)10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17,19)/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 293.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167805709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).