[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol

C15H16F3N3O — CID 67026034

IUPAC[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESN[C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)14-12(8-22)7-21(20-14)6-9-1-2-10-4-13(19)5-11(10)3-9/h1-3,7,13,22H,4-6,8,19H2/t13-/m0/s1
InChIKeyRNDZRGUXHYJDFC-ZDUSSCGKSA-N
MW311.31 g/mol
LogP1.87
Rot. Bonds3

About [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol

[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 67026034) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID67026034
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESN[C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)14-12(8-22)7-21(20-14)6-9-1-2-10-4-13(19)5-11(10)3-9/h1-3,7,13,22H,4-6,8,19H2/t13-/m0/s1
InChIKeyRNDZRGUXHYJDFC-ZDUSSCGKSA-N
XLogP1.87
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol 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-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol
CID 58230789
2,2,2-trifluoro-N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]ethanesulfonamide
CID 44555609
N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]-2-methoxybenzenesulfonamide
CID 44555611
(2S)-5-[[4-(fluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-propan-2-ylsulfanyl-2,3-dihydro-1H-inden-2-amine
CID 143903712
2-[1-[[2-(propan-2-ylsulfanylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
CID 143903693
3-[5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-1-yl]-1,1-bis(methylsulfonyl)urea
CID 67088102
2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006327
5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 174685755
2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110019055
2-[1-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 86815616
2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole
CID 146609324
[2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol
CID 166257830

Frequently Asked Questions

What is the IUPAC name of [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 67026034) is [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol is N[C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1.
What is the InChIKey of [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is RNDZRGUXHYJDFC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16F3N3O/c16-15(17,18)14-12(8-22)7-21(20-14)6-9-1-2-10-4-13(19)5-11(10)3-9/h1-3,7,13,22H,4-6,8,19H2/t13-/m0/s1.
What are the key properties of [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 311.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 67026034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).