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

C18H18N2O3 — CID 764683

IUPAC4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCCCc1ccc(Oc2cn[nH]c2-c2ccc(O)cc2O)cc1
InChIInChI=1S/C18H18N2O3/c1-2-3-12-4-7-14(8-5-12)23-17-11-19-20-18(17)15-9-6-13(21)10-16(15)22/h4-11,21-22H,2-3H2,1H3,(H,19,20)
InChIKeyAOGQBLZVZHYMHX-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.23
Rot. Bonds5

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

4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol (PubChem CID 764683) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol
PubChem CID764683
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCCCc1ccc(Oc2cn[nH]c2-c2ccc(O)cc2O)cc1
InChIInChI=1S/C18H18N2O3/c1-2-3-12-4-7-14(8-5-12)23-17-11-19-20-18(17)15-9-6-13(21)10-16(15)22/h4-11,21-22H,2-3H2,1H3,(H,19,20)
InChIKeyAOGQBLZVZHYMHX-UHFFFAOYSA-N
XLogP4.23
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol (CID 764683) is 4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol is CCCc1ccc(Oc2cn[nH]c2-c2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol?
The InChIKey is AOGQBLZVZHYMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-3-12-4-7-14(8-5-12)23-17-11-19-20-18(17)15-9-6-13(21)10-16(15)22/h4-11,21-22H,2-3H2,1H3,(H,19,20).
What are the key properties of 4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol?
4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol has a molecular weight of 310.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propylphenoxy)-1H-pyrazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 764683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).