3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol

C13H14F3N3O — CID 103027916

IUPAC3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol
SMILESCn1cc(CCC(O)c2ccc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C13H14F3N3O/c1-19-8-9(6-18-19)2-5-12(20)11-4-3-10(7-17-11)13(14,15)16/h3-4,6-8,12,20H,2,5H2,1H3
InChIKeyKNADIZOCWXLGPO-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.50
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol

3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol (PubChem CID 103027916) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol
PubChem CID103027916
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol
SMILESCn1cc(CCC(O)c2ccc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C13H14F3N3O/c1-19-8-9(6-18-19)2-5-12(20)11-4-3-10(7-17-11)13(14,15)16/h3-4,6-8,12,20H,2,5H2,1H3
InChIKeyKNADIZOCWXLGPO-UHFFFAOYSA-N
XLogP2.50
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol (CID 103027916) is 3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol is Cn1cc(CCC(O)c2ccc(C(F)(F)F)cn2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
The InChIKey is KNADIZOCWXLGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-19-8-9(6-18-19)2-5-12(20)11-4-3-10(7-17-11)13(14,15)16/h3-4,6-8,12,20H,2,5H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol?
3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol has a molecular weight of 285.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103027916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).