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

C14H14N4O2 — CID 656975

IUPAC4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCCc1cc(-c2[nH]ncc2-c2cnc[nH]2)c(O)cc1O
InChIInChI=1S/C14H14N4O2/c1-2-8-3-9(13(20)4-12(8)19)14-10(5-17-18-14)11-6-15-7-16-11/h3-7,19-20H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyATORUNMAUREKMH-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.44
Rot. Bonds3

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

4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol (PubChem CID 656975) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
PubChem CID656975
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCCc1cc(-c2[nH]ncc2-c2cnc[nH]2)c(O)cc1O
InChIInChI=1S/C14H14N4O2/c1-2-8-3-9(13(20)4-12(8)19)14-10(5-17-18-14)11-6-15-7-16-11/h3-7,19-20H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyATORUNMAUREKMH-UHFFFAOYSA-N
XLogP2.44
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol (CID 656975) is 4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol is CCc1cc(-c2[nH]ncc2-c2cnc[nH]2)c(O)cc1O.
What is the InChIKey of 4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The InChIKey is ATORUNMAUREKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-8-3-9(13(20)4-12(8)19)14-10(5-17-18-14)11-6-15-7-16-11/h3-7,19-20H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol has a molecular weight of 270.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 656975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).