(1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol

C14H15F4N3O — CID 97244163

IUPAC(1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc([C@@H](O)CNCc2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H15F4N3O/c1-21-8-10(6-20-21)13(22)7-19-5-9-2-3-12(15)11(4-9)14(16,17)18/h2-4,6,8,13,19,22H,5,7H2,1H3/t13-/m0/s1
InChIKeyHTJJRTMWWBIOLF-ZDUSSCGKSA-N
MW317.29 g/mol
LogP2.40
Rot. Bonds5

About (1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol

(1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 97244163) has the molecular formula C14H15F4N3O and a molecular weight of 317.29 g/mol. Its IUPAC name is (1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID97244163
Molecular FormulaC14H15F4N3O
Molecular Weight317.29 g/mol
Exact Mass317.12
IUPAC Name(1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc([C@@H](O)CNCc2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H15F4N3O/c1-21-8-10(6-20-21)13(22)7-19-5-9-2-3-12(15)11(4-9)14(16,17)18/h2-4,6,8,13,19,22H,5,7H2,1H3/t13-/m0/s1
InChIKeyHTJJRTMWWBIOLF-ZDUSSCGKSA-N
XLogP2.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 103851384
3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 103851684
3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171272
1-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]methanesulfonamide
CID 75389786
4-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]-3-(trifluoromethyl)benzonitrile
CID 133323513
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821547
1-(1-methylpyrazol-4-yl)-2-[4-nitro-3-(trifluoromethyl)anilino]ethanol
CID 71925169
(1S)-2-[(10-chloroanthracen-9-yl)methylamino]-1-(1-methylpyrazol-4-yl)ethanol
CID 99811946
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 104588155
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
(2R,3S)-3-amino-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-4-phenylbutan-2-ol
CID 69361428
1-(1,3-benzodioxol-5-yl)-2-[(1-methylpyrazol-4-yl)methylamino]ethanol
CID 61349275

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of (1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol (CID 97244163) is (1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for (1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for (1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc([C@@H](O)CNCc2ccc(F)c(C(F)(F)F)c2)cn1.
What is the InChIKey of (1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is HTJJRTMWWBIOLF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15F4N3O/c1-21-8-10(6-20-21)13(22)7-19-5-9-2-3-12(15)11(4-9)14(16,17)18/h2-4,6,8,13,19,22H,5,7H2,1H3/t13-/m0/s1.
What are the key properties of (1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol?
(1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 317.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 97244163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).