[(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone

C23H26N4O — CID 15425754

IUPAC[(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone
SMILESCC1(C)NN=C(C(=O)C2=NNC(C)(C)[C@@H]2c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H26N4O/c1-22(2)17(15-11-7-5-8-12-15)19(24-26-22)21(28)20-18(23(3,4)27-25-20)16-13-9-6-10-14-16/h5-14,17-18,26-27H,1-4H3/t17-,18+
InChIKeyCNCHMIBGYUAEOA-HDICACEKSA-N
MW374.49 g/mol
LogP3.60
Rot. Bonds4

About [(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone

[(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone (PubChem CID 15425754) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone
PubChem CID15425754
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name[(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone
SMILESCC1(C)NN=C(C(=O)C2=NNC(C)(C)[C@@H]2c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H26N4O/c1-22(2)17(15-11-7-5-8-12-15)19(24-26-22)21(28)20-18(23(3,4)27-25-20)16-13-9-6-10-14-16/h5-14,17-18,26-27H,1-4H3/t17-,18+
InChIKeyCNCHMIBGYUAEOA-HDICACEKSA-N
XLogP3.60
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone?
The IUPAC name of [(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone (CID 15425754) is [(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone.
What is the SMILES notation for [(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone?
The canonical SMILES for [(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone is CC1(C)NN=C(C(=O)C2=NNC(C)(C)[C@@H]2c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of [(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone?
The InChIKey is CNCHMIBGYUAEOA-HDICACEKSA-N. The full InChI is InChI=1S/C23H26N4O/c1-22(2)17(15-11-7-5-8-12-15)19(24-26-22)21(28)20-18(23(3,4)27-25-20)16-13-9-6-10-14-16/h5-14,17-18,26-27H,1-4H3/t17-,18+.
What are the key properties of [(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone?
[(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]-[(4R)-5,5-dimethyl-4-phenyl-1,4-dihydropyrazol-3-yl]methanone is sourced from PubChem (CID 15425754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).