(2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone

C17H14N2O2 — CID 1481829

IUPAC(2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1
InChIInChI=1S/C17H14N2O2/c1-12-6-8-14(9-7-12)19-11-13(10-18-19)17(21)15-4-2-3-5-16(15)20/h2-11,20H,1H3
InChIKeyIVQVXCSNUVRUNJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.12
Rot. Bonds3

About (2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone

(2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone (PubChem CID 1481829) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone
PubChem CID1481829
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1
InChIInChI=1S/C17H14N2O2/c1-12-6-8-14(9-7-12)19-11-13(10-18-19)17(21)15-4-2-3-5-16(15)20/h2-11,20H,1H3
InChIKeyIVQVXCSNUVRUNJ-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone (CID 1481829) is (2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone is Cc1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1.
What is the InChIKey of (2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone?
The InChIKey is IVQVXCSNUVRUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-6-8-14(9-7-12)19-11-13(10-18-19)17(21)15-4-2-3-5-16(15)20/h2-11,20H,1H3.
What are the key properties of (2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone?
(2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone has a molecular weight of 278.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 1481829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).