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

C20H22N2O5 — CID 134139864

IUPAC2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)cnn2C)cc1O
InChIInChI=1S/C20H22N2O5/c1-22-19(12-6-7-16(24-2)15(23)8-12)14(11-21-22)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-11,23H,1-5H3
InChIKeyFYBNULBWWUTZFB-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.49
Rot. Bonds6

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

2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol (PubChem CID 134139864) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol
PubChem CID134139864
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)cnn2C)cc1O
InChIInChI=1S/C20H22N2O5/c1-22-19(12-6-7-16(24-2)15(23)8-12)14(11-21-22)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-11,23H,1-5H3
InChIKeyFYBNULBWWUTZFB-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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Related Compounds

5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973276
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973278
Tubulin inhibitor 1
CID 137319628
2-Methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
CID 25067808
4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141435682
7-Methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole
CID 141477188
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6898261
2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 134155998
5-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185578
1-[5-(4-Ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435672
4-(4-Methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
CID 141435674
1-[5-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435680

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol (CID 134139864) is 2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol is COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)cnn2C)cc1O.
What is the InChIKey of 2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol?
The InChIKey is FYBNULBWWUTZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-22-19(12-6-7-16(24-2)15(23)8-12)14(11-21-22)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-11,23H,1-5H3.
What are the key properties of 2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol?
2-methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-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-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 134139864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).