4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol

C19H15N3O2 — CID 135573794

IUPAC4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol
SMILESCc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc2ccccc2n1
InChIInChI=1S/C19H15N3O2/c1-11-18(16-9-6-12-4-2-3-5-15(12)20-16)19(22-21-11)14-8-7-13(23)10-17(14)24/h2-10,23-24H,1H3,(H,21,22)
InChIKeyYWVMRDCYXMHOPJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.01
Rot. Bonds2

About 4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol

4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol (PubChem CID 135573794) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol
PubChem CID135573794
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol
SMILESCc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc2ccccc2n1
InChIInChI=1S/C19H15N3O2/c1-11-18(16-9-6-12-4-2-3-5-15(12)20-16)19(22-21-11)14-8-7-13(23)10-17(14)24/h2-10,23-24H,1H3,(H,21,22)
InChIKeyYWVMRDCYXMHOPJ-UHFFFAOYSA-N
XLogP4.01
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol (CID 135573794) is 4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol is Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc2ccccc2n1.
What is the InChIKey of 4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol?
The InChIKey is YWVMRDCYXMHOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-11-18(16-9-6-12-4-2-3-5-15(12)20-16)19(22-21-11)14-8-7-13(23)10-17(14)24/h2-10,23-24H,1H3,(H,21,22).
What are the key properties of 4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol?
4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol has a molecular weight of 317.35 g/mol, XLogP of 4.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol is sourced from PubChem (CID 135573794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).