5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol

C19H20N2O3 — CID 135840464

IUPAC5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2[nH]ncc2Oc2ccccc2C(C)C)c(O)c1
InChIInChI=1S/C19H20N2O3/c1-12(2)14-6-4-5-7-17(14)24-18-11-20-21-19(18)15-9-8-13(23-3)10-16(15)22/h4-12,22H,1-3H3,(H,20,21)
InChIKeyRZTKBNWJCOCNLW-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.71
Rot. Bonds5

About 5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol

5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol (PubChem CID 135840464) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol
PubChem CID135840464
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2[nH]ncc2Oc2ccccc2C(C)C)c(O)c1
InChIInChI=1S/C19H20N2O3/c1-12(2)14-6-4-5-7-17(14)24-18-11-20-21-19(18)15-9-8-13(23-3)10-16(15)22/h4-12,22H,1-3H3,(H,20,21)
InChIKeyRZTKBNWJCOCNLW-UHFFFAOYSA-N
XLogP4.71
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-tert-butylphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol
CID 135594217
5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
CID 764663
5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 1387328
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 945537
6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione
CID 135657522
2-[4-(2-bromophenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol
CID 2009660
2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135610298
2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
CID 135709545
2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
CID 919830
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719415
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135618857

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol (CID 135840464) is 5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol is COc1ccc(-c2[nH]ncc2Oc2ccccc2C(C)C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol?
The InChIKey is RZTKBNWJCOCNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(2)14-6-4-5-7-17(14)24-18-11-20-21-19(18)15-9-8-13(23-3)10-16(15)22/h4-12,22H,1-3H3,(H,20,21).
What are the key properties of 5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol?
5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol has a molecular weight of 324.38 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135840464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).