(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone

C17H16N2O — CID 2924700

IUPAC(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C17H16N2O/c1-13-12-16(14-8-4-2-5-9-14)19(18-13)17(20)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKeyOPNAUUUJLJIQOT-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.65
Rot. Bonds2

About (5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone

(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone (PubChem CID 2924700) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone
PubChem CID2924700
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C17H16N2O/c1-13-12-16(14-8-4-2-5-9-14)19(18-13)17(20)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKeyOPNAUUUJLJIQOT-UHFFFAOYSA-N
XLogP3.65
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
The IUPAC name of (5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone (CID 2924700) is (5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone.
What is the SMILES notation for (5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
The canonical SMILES for (5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone is CC1=NN(C(=O)c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of (5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
The InChIKey is OPNAUUUJLJIQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-12-16(14-8-4-2-5-9-14)19(18-13)17(20)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3.
What are the key properties of (5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone has a molecular weight of 264.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone is sourced from PubChem (CID 2924700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).