(1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol

C7H10F3N3O — CID 96615621

IUPAC(1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
SMILESNCC[C@H](O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)6-4(3-12-13-6)5(14)1-2-11/h3,5,14H,1-2,11H2,(H,12,13)/t5-/m0/s1
InChIKeyNFSQSKIPOOFNJF-YFKPBYRVSA-N
MW209.17 g/mol
LogP0.81
Rot. Bonds3

About (1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol

(1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol (PubChem CID 96615621) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is (1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
PubChem CID96615621
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name(1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
SMILESNCC[C@H](O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)6-4(3-12-13-6)5(14)1-2-11/h3,5,14H,1-2,11H2,(H,12,13)/t5-/m0/s1
InChIKeyNFSQSKIPOOFNJF-YFKPBYRVSA-N
XLogP0.81
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol 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

3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-propanol
CID 2763521
2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
CID 58230786
(5-ethyl-1H-pyrazol-4-yl)methanol
CID 66440409
(5-cyclopropyl-1H-pyrazol-4-yl)methanol
CID 66442627
(3-Trifluoromethyl-1H-pyrazol-4-yl)methanol
CID 59520494
(3-(Difluoromethyl)-1H-pyrazol-4-yl)methanol
CID 66442625
2-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 70818131
1-[4-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
CID 122623437
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
CID 141194095
2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol
CID 175925910
2-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 82400680
1,1,1,3,3,3-Hexafluoro-2-(5-methyl-1h-pyrazol-4-yl)propan-2-ol
CID 83384965

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol?
The IUPAC name of (1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol (CID 96615621) is (1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol is NCC[C@H](O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of (1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol?
The InChIKey is NFSQSKIPOOFNJF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10F3N3O/c8-7(9,10)6-4(3-12-13-6)5(14)1-2-11/h3,5,14H,1-2,11H2,(H,12,13)/t5-/m0/s1.
What are the key properties of (1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol?
(1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol has a molecular weight of 209.17 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 96615621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).