2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol

C14H16F3N3O — CID 116695373

IUPAC2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
SMILESNC(CO)(CCn1ccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)12-6-8-20(19-12)9-7-13(18,10-21)11-4-2-1-3-5-11/h1-6,8,21H,7,9-10,18H2
InChIKeyMGYGXFTZHDCIJX-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.14
Rot. Bonds5

About 2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol

2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol (PubChem CID 116695373) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
PubChem CID116695373
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
SMILESNC(CO)(CCn1ccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)12-6-8-20(19-12)9-7-13(18,10-21)11-4-2-1-3-5-11/h1-6,8,21H,7,9-10,18H2
InChIKeyMGYGXFTZHDCIJX-UHFFFAOYSA-N
XLogP2.14
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol?
The IUPAC name of 2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol (CID 116695373) is 2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol.
What is the SMILES notation for 2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol?
The canonical SMILES for 2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol is NC(CO)(CCn1ccc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol?
The InChIKey is MGYGXFTZHDCIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-14(16,17)12-6-8-20(19-12)9-7-13(18,10-21)11-4-2-1-3-5-11/h1-6,8,21H,7,9-10,18H2.
What are the key properties of 2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol?
2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol has a molecular weight of 299.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol is sourced from PubChem (CID 116695373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).