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

C21H16N2O2 — CID 1481855

IUPAC(1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccc(-n2cc(C(=O)c3ccc4ccccc4c3O)cn2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-6-9-17(10-7-14)23-13-16(12-22-23)20(24)19-11-8-15-4-2-3-5-18(15)21(19)25/h2-13,25H,1H3
InChIKeyVOUFSVWPQYVGIH-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.27
Rot. Bonds3

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

(1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone (PubChem CID 1481855) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is (1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone
PubChem CID1481855
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name(1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccc(-n2cc(C(=O)c3ccc4ccccc4c3O)cn2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-6-9-17(10-7-14)23-13-16(12-22-23)20(24)19-11-8-15-4-2-3-5-18(15)21(19)25/h2-13,25H,1H3
InChIKeyVOUFSVWPQYVGIH-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone?
The IUPAC name of (1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone (CID 1481855) is (1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for (1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone is Cc1ccc(-n2cc(C(=O)c3ccc4ccccc4c3O)cn2)cc1.
What is the InChIKey of (1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone?
The InChIKey is VOUFSVWPQYVGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-6-9-17(10-7-14)23-13-16(12-22-23)20(24)19-11-8-15-4-2-3-5-18(15)21(19)25/h2-13,25H,1H3.
What are the key properties of (1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone?
(1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxynaphthalen-2-yl)-[1-(4-methylphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 1481855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).