2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol

C17H16N2O2 — CID 135465500

IUPAC2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol
SMILESCOc1ccc(-n2nc(-c3ccccc3O)cc2C)cc1
InChIInChI=1S/C17H16N2O2/c1-12-11-16(15-5-3-4-6-17(15)20)18-19(12)13-7-9-14(21-2)10-8-13/h3-11,20H,1-2H3
InChIKeyGEWMPFZGPCBKCB-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds3

About 2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol

2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol (PubChem CID 135465500) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol
PubChem CID135465500
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol
SMILESCOc1ccc(-n2nc(-c3ccccc3O)cc2C)cc1
InChIInChI=1S/C17H16N2O2/c1-12-11-16(15-5-3-4-6-17(15)20)18-19(12)13-7-9-14(21-2)10-8-13/h3-11,20H,1-2H3
InChIKeyGEWMPFZGPCBKCB-UHFFFAOYSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol?
The IUPAC name of 2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol (CID 135465500) is 2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol is COc1ccc(-n2nc(-c3ccccc3O)cc2C)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol?
The InChIKey is GEWMPFZGPCBKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-11-16(15-5-3-4-6-17(15)20)18-19(12)13-7-9-14(21-2)10-8-13/h3-11,20H,1-2H3.
What are the key properties of 2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol?
2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol has a molecular weight of 280.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]phenol is sourced from PubChem (CID 135465500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).