1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine

C15H21F3N6O — CID 154767439

IUPAC1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine
SMILESCO[C@H]1C[C@@H](Cn2ccc(N)n2)N(Cc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C15H21F3N6O/c1-25-12-6-11(7-24-4-2-13(19)21-24)23(8-12)9-14-20-3-5-22(14)10-15(16,17)18/h2-5,11-12H,6-10H2,1H3,(H2,19,21)/t11-,12-/m0/s1
InChIKeyTWYGWAHNCVRSOF-RYUDHWBXSA-N
MW358.37 g/mol
LogP1.51
Rot. Bonds6

About 1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine

1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine (PubChem CID 154767439) has the molecular formula C15H21F3N6O and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine
PubChem CID154767439
Molecular FormulaC15H21F3N6O
Molecular Weight358.37 g/mol
Exact Mass358.17
IUPAC Name1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine
SMILESCO[C@H]1C[C@@H](Cn2ccc(N)n2)N(Cc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C15H21F3N6O/c1-25-12-6-11(7-24-4-2-13(19)21-24)23(8-12)9-14-20-3-5-22(14)10-15(16,17)18/h2-5,11-12H,6-10H2,1H3,(H2,19,21)/t11-,12-/m0/s1
InChIKeyTWYGWAHNCVRSOF-RYUDHWBXSA-N
XLogP1.51
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine 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-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine?
The IUPAC name of 1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine (CID 154767439) is 1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine is CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(Cc2nccn2CC(F)(F)F)C1.
What is the InChIKey of 1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine?
The InChIKey is TWYGWAHNCVRSOF-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21F3N6O/c1-25-12-6-11(7-24-4-2-13(19)21-24)23(8-12)9-14-20-3-5-22(14)10-15(16,17)18/h2-5,11-12H,6-10H2,1H3,(H2,19,21)/t11-,12-/m0/s1.
What are the key properties of 1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine?
1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine has a molecular weight of 358.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 154767439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).