2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol

C20H22N2O5 — CID 134157318

IUPAC2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol
SMILESCOc1ccc(-c2cnn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H22N2O5/c1-22-19(13-9-17(25-3)20(27-5)18(10-13)26-4)14(11-21-22)12-6-7-16(24-2)15(23)8-12/h6-11,23H,1-5H3
InChIKeyQEVWVBBDLLQTRP-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.49
Rot. Bonds6

About 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol

2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol (PubChem CID 134157318) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol
PubChem CID134157318
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol
SMILESCOc1ccc(-c2cnn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H22N2O5/c1-22-19(13-9-17(25-3)20(27-5)18(10-13)26-4)14(11-21-22)12-6-7-16(24-2)15(23)8-12/h6-11,23H,1-5H3
InChIKeyQEVWVBBDLLQTRP-UHFFFAOYSA-N
XLogP3.49
TPSA74.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol?
The IUPAC name of 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol (CID 134157318) is 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol?
The canonical SMILES for 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol is COc1ccc(-c2cnn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol?
The InChIKey is QEVWVBBDLLQTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-22-19(13-9-17(25-3)20(27-5)18(10-13)26-4)14(11-21-22)12-6-7-16(24-2)15(23)8-12/h6-11,23H,1-5H3.
What are the key properties of 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol?
2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol has a molecular weight of 370.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol is sourced from PubChem (CID 134157318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).