[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

C17H16N2O2 — CID 53233129

IUPAC[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(c2ccccc2O)C1
InChIInChI=1S/C17H16N2O2/c1-12-11-15(14-9-5-6-10-16(14)20)19(18-12)17(21)13-7-3-2-4-8-13/h2-10,15,20H,11H2,1H3
InChIKeyIGRDRFMFJVAIOP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.36
Rot. Bonds2

About [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 53233129) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID53233129
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(c2ccccc2O)C1
InChIInChI=1S/C17H16N2O2/c1-12-11-15(14-9-5-6-10-16(14)20)19(18-12)17(21)13-7-3-2-4-8-13/h2-10,15,20H,11H2,1H3
InChIKeyIGRDRFMFJVAIOP-UHFFFAOYSA-N
XLogP3.36
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 53233129) is [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is CC1=NN(C(=O)c2ccccc2)C(c2ccccc2O)C1.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is IGRDRFMFJVAIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-11-15(14-9-5-6-10-16(14)20)19(18-12)17(21)13-7-3-2-4-8-13/h2-10,15,20H,11H2,1H3.
What are the key properties of [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 280.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 53233129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).