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

C19H20N2O3 — CID 764687

IUPAC5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCCCc1ccc(Oc2cn[nH]c2-c2ccc(OC)cc2O)cc1
InChIInChI=1S/C19H20N2O3/c1-3-4-13-5-7-14(8-6-13)24-18-12-20-21-19(18)16-10-9-15(23-2)11-17(16)22/h5-12,22H,3-4H2,1-2H3,(H,20,21)
InChIKeyLGVRYTOGUANMTF-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.54
Rot. Bonds6

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

5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol (PubChem CID 764687) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol
PubChem CID764687
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCCCc1ccc(Oc2cn[nH]c2-c2ccc(OC)cc2O)cc1
InChIInChI=1S/C19H20N2O3/c1-3-4-13-5-7-14(8-6-13)24-18-12-20-21-19(18)16-10-9-15(23-2)11-17(16)22/h5-12,22H,3-4H2,1-2H3,(H,20,21)
InChIKeyLGVRYTOGUANMTF-UHFFFAOYSA-N
XLogP4.54
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol (CID 764687) is 5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol is CCCc1ccc(Oc2cn[nH]c2-c2ccc(OC)cc2O)cc1.
What is the InChIKey of 5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol?
The InChIKey is LGVRYTOGUANMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-4-13-5-7-14(8-6-13)24-18-12-20-21-19(18)16-10-9-15(23-2)11-17(16)22/h5-12,22H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol?
5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol has a molecular weight of 324.38 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 764687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).