1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol

C8H12F3N3O — CID 83442777

IUPAC1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
SMILESCn1nc(C(F)(F)F)cc1CC(O)CN
InChIInChI=1S/C8H12F3N3O/c1-14-5(2-6(15)4-12)3-7(13-14)8(9,10)11/h3,6,15H,2,4,12H2,1H3
InChIKeyUKNJTPLRQONPIG-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.30
Rot. Bonds3

About 1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol

1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol (PubChem CID 83442777) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
PubChem CID83442777
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
SMILESCn1nc(C(F)(F)F)cc1CC(O)CN
InChIInChI=1S/C8H12F3N3O/c1-14-5(2-6(15)4-12)3-7(13-14)8(9,10)11/h3,6,15H,2,4,12H2,1H3
InChIKeyUKNJTPLRQONPIG-UHFFFAOYSA-N
XLogP0.30
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The IUPAC name of 1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol (CID 83442777) is 1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The canonical SMILES for 1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol is Cn1nc(C(F)(F)F)cc1CC(O)CN.
What is the InChIKey of 1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The InChIKey is UKNJTPLRQONPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-14-5(2-6(15)4-12)3-7(13-14)8(9,10)11/h3,6,15H,2,4,12H2,1H3.
What are the key properties of 1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol has a molecular weight of 223.20 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol is sourced from PubChem (CID 83442777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).