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

C12H10N4O2 — CID 677077

IUPAC4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(-c2[nH]ncc2-c2cnc[nH]2)c(O)c1
InChIInChI=1S/C12H10N4O2/c17-7-1-2-8(11(18)3-7)12-9(4-15-16-12)10-5-13-6-14-10/h1-6,17-18H,(H,13,14)(H,15,16)
InChIKeyYNRRQFJFMPDKQJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.88
Rot. Bonds2

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

4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol (PubChem CID 677077) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
PubChem CID677077
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(-c2[nH]ncc2-c2cnc[nH]2)c(O)c1
InChIInChI=1S/C12H10N4O2/c17-7-1-2-8(11(18)3-7)12-9(4-15-16-12)10-5-13-6-14-10/h1-6,17-18H,(H,13,14)(H,15,16)
InChIKeyYNRRQFJFMPDKQJ-UHFFFAOYSA-N
XLogP1.88
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol (CID 677077) is 4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol is Oc1ccc(-c2[nH]ncc2-c2cnc[nH]2)c(O)c1.
What is the InChIKey of 4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The InChIKey is YNRRQFJFMPDKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c17-7-1-2-8(11(18)3-7)12-9(4-15-16-12)10-5-13-6-14-10/h1-6,17-18H,(H,13,14)(H,15,16).
What are the key properties of 4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol has a molecular weight of 242.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 677077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).