2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol

C20H22N2O3 — CID 135709545

IUPAC2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
SMILESCc1cccc(Oc2cn[nH]c2-c2ccc(OCC(C)C)cc2O)c1
InChIInChI=1S/C20H22N2O3/c1-13(2)12-24-15-7-8-17(18(23)10-15)20-19(11-21-22-20)25-16-6-4-5-14(3)9-16/h4-11,13,23H,12H2,1-3H3,(H,21,22)
InChIKeyLJWDSLCSFQFSSJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.92
Rot. Bonds6

About 2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol

2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol (PubChem CID 135709545) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol.

Molecular Properties

Compound Name2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
PubChem CID135709545
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
SMILESCc1cccc(Oc2cn[nH]c2-c2ccc(OCC(C)C)cc2O)c1
InChIInChI=1S/C20H22N2O3/c1-13(2)12-24-15-7-8-17(18(23)10-15)20-19(11-21-22-20)25-16-6-4-5-14(3)9-16/h4-11,13,23H,12H2,1-3H3,(H,21,22)
InChIKeyLJWDSLCSFQFSSJ-UHFFFAOYSA-N
XLogP4.92
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719415
2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135610298
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
CID 135765783
2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
CID 919830
5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135840464
2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol
CID 135770022
5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 1387328
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
2,4-bis(3-methylphenoxy)phenol
CID 139941781
2-(3-methylphenoxy)phenol
CID 22051950
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 135796160
4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol
CID 63325074

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol?
The IUPAC name of 2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol (CID 135709545) is 2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol.
What is the SMILES notation for 2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol?
The canonical SMILES for 2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol is Cc1cccc(Oc2cn[nH]c2-c2ccc(OCC(C)C)cc2O)c1.
What is the InChIKey of 2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol?
The InChIKey is LJWDSLCSFQFSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)12-24-15-7-8-17(18(23)10-15)20-19(11-21-22-20)25-16-6-4-5-14(3)9-16/h4-11,13,23H,12H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol?
2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol has a molecular weight of 338.41 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol is sourced from PubChem (CID 135709545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).