1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one

C19H20N2O — CID 2992078

IUPAC1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one
SMILESCC1=NN(C(=O)CCc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C19H20N2O/c1-15-14-18(17-10-6-3-7-11-17)21(20-15)19(22)13-12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3
InChIKeyRPKXMRBSVLTEJJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.97
Rot. Bonds4

About 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one

1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one (PubChem CID 2992078) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one
PubChem CID2992078
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one
SMILESCC1=NN(C(=O)CCc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C19H20N2O/c1-15-14-18(17-10-6-3-7-11-17)21(20-15)19(22)13-12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3
InChIKeyRPKXMRBSVLTEJJ-UHFFFAOYSA-N
XLogP3.97
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one (CID 2992078) is 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one is CC1=NN(C(=O)CCc2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one?
The InChIKey is RPKXMRBSVLTEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-15-14-18(17-10-6-3-7-11-17)21(20-15)19(22)13-12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3.
What are the key properties of 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one?
1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one has a molecular weight of 292.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 2992078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).