2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol

C14H14N4O2 — CID 737849

IUPAC2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol
SMILESCc1ccn(-c2cc(O)c(-n3ccc(C)n3)cc2O)n1
InChIInChI=1S/C14H14N4O2/c1-9-3-5-17(15-9)11-7-14(20)12(8-13(11)19)18-6-4-10(2)16-18/h3-8,19-20H,1-2H3
InChIKeyRCPNIBODRNLYST-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.09
Rot. Bonds2

About 2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol

2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol (PubChem CID 737849) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol
PubChem CID737849
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol
SMILESCc1ccn(-c2cc(O)c(-n3ccc(C)n3)cc2O)n1
InChIInChI=1S/C14H14N4O2/c1-9-3-5-17(15-9)11-7-14(20)12(8-13(11)19)18-6-4-10(2)16-18/h3-8,19-20H,1-2H3
InChIKeyRCPNIBODRNLYST-UHFFFAOYSA-N
XLogP2.09
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol?
The IUPAC name of 2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol (CID 737849) is 2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol.
What is the SMILES notation for 2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol?
The canonical SMILES for 2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol is Cc1ccn(-c2cc(O)c(-n3ccc(C)n3)cc2O)n1.
What is the InChIKey of 2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol?
The InChIKey is RCPNIBODRNLYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-3-5-17(15-9)11-7-14(20)12(8-13(11)19)18-6-4-10(2)16-18/h3-8,19-20H,1-2H3.
What are the key properties of 2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol?
2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol has a molecular weight of 270.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methylpyrazol-1-yl)benzene-1,4-diol is sourced from PubChem (CID 737849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).