2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol

C15H19F3N4O — CID 78318302

IUPAC2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C(C)(C)O
InChIInChI=1S/C15H19F3N4O/c1-8(2)22-12(14(3,4)23)6-11(21-22)9-5-10(15(16,17)18)13(19)20-7-9/h5-8,23H,1-4H3,(H2,19,20)
InChIKeyKWIVZZIOBDGYIH-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.35
Rot. Bonds3

About 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol

2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol (PubChem CID 78318302) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol
PubChem CID78318302
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C(C)(C)O
InChIInChI=1S/C15H19F3N4O/c1-8(2)22-12(14(3,4)23)6-11(21-22)9-5-10(15(16,17)18)13(19)20-7-9/h5-8,23H,1-4H3,(H2,19,20)
InChIKeyKWIVZZIOBDGYIH-UHFFFAOYSA-N
XLogP3.35
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol (CID 78318302) is 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C(C)(C)O.
What is the InChIKey of 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
The InChIKey is KWIVZZIOBDGYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-8(2)22-12(14(3,4)23)6-11(21-22)9-5-10(15(16,17)18)13(19)20-7-9/h5-8,23H,1-4H3,(H2,19,20).
What are the key properties of 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol has a molecular weight of 328.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol is sourced from PubChem (CID 78318302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).