4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

C18H18N2O4 — CID 888681

IUPAC4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2c(-c3ccc(O)cc3O)n[nH]c2C)cc1OC
InChIInChI=1S/C18H18N2O4/c1-10-17(11-4-7-15(23-2)16(8-11)24-3)18(20-19-10)13-6-5-12(21)9-14(13)22/h4-9,21-22H,1-3H3,(H,19,20)
InChIKeySADMOYKKNMBFNC-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.48
Rot. Bonds4

About 4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol (PubChem CID 888681) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
PubChem CID888681
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2c(-c3ccc(O)cc3O)n[nH]c2C)cc1OC
InChIInChI=1S/C18H18N2O4/c1-10-17(11-4-7-15(23-2)16(8-11)24-3)18(20-19-10)13-6-5-12(21)9-14(13)22/h4-9,21-22H,1-3H3,(H,19,20)
InChIKeySADMOYKKNMBFNC-UHFFFAOYSA-N
XLogP3.48
TPSA87.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol (CID 888681) is 4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol is COc1ccc(-c2c(-c3ccc(O)cc3O)n[nH]c2C)cc1OC.
What is the InChIKey of 4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
The InChIKey is SADMOYKKNMBFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-10-17(11-4-7-15(23-2)16(8-11)24-3)18(20-19-10)13-6-5-12(21)9-14(13)22/h4-9,21-22H,1-3H3,(H,19,20).
What are the key properties of 4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol?
4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol has a molecular weight of 326.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 888681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).