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

C19H16N4O2 — CID 4547259

IUPAC4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCc1[nH]nc(-c2ccc(O)cc2O)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H16N4O2/c1-12-18(13-10-20-23(11-13)14-5-3-2-4-6-14)19(22-21-12)16-8-7-15(24)9-17(16)25/h2-11,24-25H,1H3,(H,21,22)
InChIKeyXDYQGVVDCXJNGD-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.65
Rot. Bonds3

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

4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol (PubChem CID 4547259) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol
PubChem CID4547259
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCc1[nH]nc(-c2ccc(O)cc2O)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H16N4O2/c1-12-18(13-10-20-23(11-13)14-5-3-2-4-6-14)19(22-21-12)16-8-7-15(24)9-17(16)25/h2-11,24-25H,1H3,(H,21,22)
InChIKeyXDYQGVVDCXJNGD-UHFFFAOYSA-N
XLogP3.65
TPSA86.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol (CID 4547259) is 4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol is Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The InChIKey is XDYQGVVDCXJNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-18(13-10-20-23(11-13)14-5-3-2-4-6-14)19(22-21-12)16-8-7-15(24)9-17(16)25/h2-11,24-25H,1H3,(H,21,22).
What are the key properties of 4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol?
4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol has a molecular weight of 332.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(1-phenylpyrazol-4-yl)-1H-pyrazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 4547259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).