2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol

C22H25N3O5 — CID 118869871

IUPAC2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol
SMILESCC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C1OCC(CO)O1
InChIInChI=1S/C22H25N3O5/c1-14(2)25-17(8-10-24-25)21-15(5-4-9-23-21)12-28-19-7-3-6-18(27)20(19)22-29-13-16(11-26)30-22/h3-10,14,16,22,26-27H,11-13H2,1-2H3
InChIKeyFRNAOSPNGIPWBV-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.22
Rot. Bonds7

About 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol

2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol (PubChem CID 118869871) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol
PubChem CID118869871
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol
SMILESCC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C1OCC(CO)O1
InChIInChI=1S/C22H25N3O5/c1-14(2)25-17(8-10-24-25)21-15(5-4-9-23-21)12-28-19-7-3-6-18(27)20(19)22-29-13-16(11-26)30-22/h3-10,14,16,22,26-27H,11-13H2,1-2H3
InChIKeyFRNAOSPNGIPWBV-UHFFFAOYSA-N
XLogP3.22
TPSA98.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol?
The IUPAC name of 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol (CID 118869871) is 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol?
The canonical SMILES for 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol is CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C1OCC(CO)O1.
What is the InChIKey of 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol?
The InChIKey is FRNAOSPNGIPWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-14(2)25-17(8-10-24-25)21-15(5-4-9-23-21)12-28-19-7-3-6-18(27)20(19)22-29-13-16(11-26)30-22/h3-10,14,16,22,26-27H,11-13H2,1-2H3.
What are the key properties of 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol?
2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol has a molecular weight of 411.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol is sourced from PubChem (CID 118869871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).