(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

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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).