(2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one

C18H18N2O — CID 134951434

IUPAC(2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@H](CN1CCC=N1)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(16-10-5-2-6-11-16)17(14-20-13-7-12-19-20)15-8-3-1-4-9-15/h1-6,8-12,17H,7,13-14H2/t17-/m1/s1
InChIKeyAYXRDWHGSMSERJ-QGZVFWFLSA-N
MW278.36 g/mol
LogP3.34
Rot. Bonds5

About (2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one

(2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one (PubChem CID 134951434) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one.

Molecular Properties

Compound Name(2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one
PubChem CID134951434
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@H](CN1CCC=N1)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(16-10-5-2-6-11-16)17(14-20-13-7-12-19-20)15-8-3-1-4-9-15/h1-6,8-12,17H,7,13-14H2/t17-/m1/s1
InChIKeyAYXRDWHGSMSERJ-QGZVFWFLSA-N
XLogP3.34
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one?
The IUPAC name of (2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one (CID 134951434) is (2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one.
What is the SMILES notation for (2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one?
The canonical SMILES for (2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one is O=C(c1ccccc1)[C@H](CN1CCC=N1)c1ccccc1.
What is the InChIKey of (2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one?
The InChIKey is AYXRDWHGSMSERJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18(16-10-5-2-6-11-16)17(14-20-13-7-12-19-20)15-8-3-1-4-9-15/h1-6,8-12,17H,7,13-14H2/t17-/m1/s1.
What are the key properties of (2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one?
(2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one has a molecular weight of 278.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,4-dihydropyrazol-2-yl)-1,2-diphenylpropan-1-one is sourced from PubChem (CID 134951434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).