1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol

C18H16F3N3O2 — CID 142526587

IUPAC1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol
SMILESOC(Cc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)C(F)(F)F
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)17(25)9-12-2-1-3-13(8-12)11-26-14-4-5-15(22-10-14)16-6-7-23-24-16/h1-8,10,17,25H,9,11H2,(H,23,24)
InChIKeyNNAMMZYDBDLVEK-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.52
Rot. Bonds6

About 1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol

1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol (PubChem CID 142526587) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol
PubChem CID142526587
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol
SMILESOC(Cc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)C(F)(F)F
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)17(25)9-12-2-1-3-13(8-12)11-26-14-4-5-15(22-10-14)16-6-7-23-24-16/h1-8,10,17,25H,9,11H2,(H,23,24)
InChIKeyNNAMMZYDBDLVEK-UHFFFAOYSA-N
XLogP3.52
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol (CID 142526587) is 1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol is OC(Cc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol?
The InChIKey is NNAMMZYDBDLVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)17(25)9-12-2-1-3-13(8-12)11-26-14-4-5-15(22-10-14)16-6-7-23-24-16/h1-8,10,17,25H,9,11H2,(H,23,24).
What are the key properties of 1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol?
1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol has a molecular weight of 363.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol is sourced from PubChem (CID 142526587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).