2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol

C21H23N3O3 — CID 142526925

IUPAC2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol
SMILESCc1ccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)cc1O
InChIInChI=1S/C21H23N3O3/c1-15-5-6-16(12-20(15)25)14-27-17-7-8-18(22-13-17)19-9-10-23-24(19)21-4-2-3-11-26-21/h5-10,12-13,21,25H,2-4,11,14H2,1H3
InChIKeyOJIQEWNGYNDUIV-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.24
Rot. Bonds5

About 2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol

2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol (PubChem CID 142526925) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol.

Molecular Properties

Compound Name2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol
PubChem CID142526925
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol
SMILESCc1ccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)cc1O
InChIInChI=1S/C21H23N3O3/c1-15-5-6-16(12-20(15)25)14-27-17-7-8-18(22-13-17)19-9-10-23-24(19)21-4-2-3-11-26-21/h5-10,12-13,21,25H,2-4,11,14H2,1H3
InChIKeyOJIQEWNGYNDUIV-UHFFFAOYSA-N
XLogP4.24
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol?
The IUPAC name of 2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol (CID 142526925) is 2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol.
What is the SMILES notation for 2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol?
The canonical SMILES for 2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol is Cc1ccc(COc2ccc(-c3ccnn3C3CCCCO3)nc2)cc1O.
What is the InChIKey of 2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol?
The InChIKey is OJIQEWNGYNDUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-5-6-16(12-20(15)25)14-27-17-7-8-18(22-13-17)19-9-10-23-24(19)21-4-2-3-11-26-21/h5-10,12-13,21,25H,2-4,11,14H2,1H3.
What are the key properties of 2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol?
2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol has a molecular weight of 365.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol is sourced from PubChem (CID 142526925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).