4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol

C20H18N4O2 — CID 801066

IUPAC4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCCc1cc(-c2[nH]ncc2-c2cnn(-c3ccccc3)c2)c(O)cc1O
InChIInChI=1S/C20H18N4O2/c1-2-13-8-16(19(26)9-18(13)25)20-17(11-21-23-20)14-10-22-24(12-14)15-6-4-3-5-7-15/h3-12,25-26H,2H2,1H3,(H,21,23)
InChIKeyGZAJJTUEVXJBAN-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.90
Rot. Bonds4

About 4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol

4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol (PubChem CID 801066) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
PubChem CID801066
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCCc1cc(-c2[nH]ncc2-c2cnn(-c3ccccc3)c2)c(O)cc1O
InChIInChI=1S/C20H18N4O2/c1-2-13-8-16(19(26)9-18(13)25)20-17(11-21-23-20)14-10-22-24(12-14)15-6-4-3-5-7-15/h3-12,25-26H,2H2,1H3,(H,21,23)
InChIKeyGZAJJTUEVXJBAN-UHFFFAOYSA-N
XLogP3.90
TPSA86.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol (CID 801066) is 4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol is CCc1cc(-c2[nH]ncc2-c2cnn(-c3ccccc3)c2)c(O)cc1O.
What is the InChIKey of 4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The InChIKey is GZAJJTUEVXJBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-13-8-16(19(26)9-18(13)25)20-17(11-21-23-20)14-10-22-24(12-14)15-6-4-3-5-7-15/h3-12,25-26H,2H2,1H3,(H,21,23).
What are the key properties of 4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol has a molecular weight of 346.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 801066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).