5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol

C24H21ClN2O4 — CID 135651835

IUPAC5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(Oc2c(-c3ccc(OCc4cccc(Cl)c4)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C24H21ClN2O4/c1-15-24(31-19-8-6-18(29-2)7-9-19)23(27-26-15)21-11-10-20(13-22(21)28)30-14-16-4-3-5-17(25)12-16/h3-13,28H,14H2,1-2H3,(H,26,27)
InChIKeyRQVBBMIXWPYYBB-UHFFFAOYSA-N
MW436.90 g/mol
LogP6.12
Rot. Bonds7

About 5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol

5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol (PubChem CID 135651835) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
PubChem CID135651835
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(Oc2c(-c3ccc(OCc4cccc(Cl)c4)cc3O)n[nH]c2C)cc1
InChIInChI=1S/C24H21ClN2O4/c1-15-24(31-19-8-6-18(29-2)7-9-19)23(27-26-15)21-11-10-20(13-22(21)28)30-14-16-4-3-5-17(25)12-16/h3-13,28H,14H2,1-2H3,(H,26,27)
InChIKeyRQVBBMIXWPYYBB-UHFFFAOYSA-N
XLogP6.12
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol (CID 135651835) is 5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol is COc1ccc(Oc2c(-c3ccc(OCc4cccc(Cl)c4)cc3O)n[nH]c2C)cc1.
What is the InChIKey of 5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
The InChIKey is RQVBBMIXWPYYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c1-15-24(31-19-8-6-18(29-2)7-9-19)23(27-26-15)21-11-10-20(13-22(21)28)30-14-16-4-3-5-17(25)12-16/h3-13,28H,14H2,1-2H3,(H,26,27).
What are the key properties of 5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol has a molecular weight of 436.90 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 135651835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).