2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one

C15H20N2O — CID 155552769

IUPAC2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCC1=NN(C(=O)C(C)(C)C)[C@H](c2ccccc2)C1
InChIInChI=1S/C15H20N2O/c1-11-10-13(12-8-6-5-7-9-12)17(16-11)14(18)15(2,3)4/h5-9,13H,10H2,1-4H3/t13-/m0/s1
InChIKeyMDGXLMQZIPDPPH-ZDUSSCGKSA-N
MW244.34 g/mol
LogP3.38
Rot. Bonds1

About 2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one

2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 155552769) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID155552769
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCC1=NN(C(=O)C(C)(C)C)[C@H](c2ccccc2)C1
InChIInChI=1S/C15H20N2O/c1-11-10-13(12-8-6-5-7-9-12)17(16-11)14(18)15(2,3)4/h5-9,13H,10H2,1-4H3/t13-/m0/s1
InChIKeyMDGXLMQZIPDPPH-ZDUSSCGKSA-N
XLogP3.38
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one (CID 155552769) is 2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one is CC1=NN(C(=O)C(C)(C)C)[C@H](c2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is MDGXLMQZIPDPPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-10-13(12-8-6-5-7-9-12)17(16-11)14(18)15(2,3)4/h5-9,13H,10H2,1-4H3/t13-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one?
2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 244.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 155552769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).