2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol

C16H15N3O2 — CID 142526730

IUPAC2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
SMILESCc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1O
InChIInChI=1S/C16H15N3O2/c1-11-2-3-12(8-16(11)20)10-21-13-4-5-14(17-9-13)15-6-7-18-19-15/h2-9,20H,10H2,1H3,(H,18,19)
InChIKeySJGBSSCKRJOPOE-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.06
Rot. Bonds4

About 2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol

2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol (PubChem CID 142526730) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol.

Molecular Properties

Compound Name2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
PubChem CID142526730
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
SMILESCc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1O
InChIInChI=1S/C16H15N3O2/c1-11-2-3-12(8-16(11)20)10-21-13-4-5-14(17-9-13)15-6-7-18-19-15/h2-9,20H,10H2,1H3,(H,18,19)
InChIKeySJGBSSCKRJOPOE-UHFFFAOYSA-N
XLogP3.06
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
The IUPAC name of 2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol (CID 142526730) is 2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol.
What is the SMILES notation for 2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
The canonical SMILES for 2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol is Cc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1O.
What is the InChIKey of 2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
The InChIKey is SJGBSSCKRJOPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-2-3-12(8-16(11)20)10-21-13-4-5-14(17-9-13)15-6-7-18-19-15/h2-9,20H,10H2,1H3,(H,18,19).
What are the key properties of 2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol has a molecular weight of 281.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol is sourced from PubChem (CID 142526730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).