N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

C23H27N3O3 — CID 97020312

IUPACN-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESC[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C23H27N3O3/c1-17(16-18-8-10-20(27)11-9-18)25(2)22(28)12-13-23(29)26-15-14-21(24-26)19-6-4-3-5-7-19/h3-11,17,27H,12-16H2,1-2H3/t17-/m1/s1
InChIKeyCDTUSQJYJXMEPL-QGZVFWFLSA-N
MW393.49 g/mol
LogP3.20
Rot. Bonds7

About N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (PubChem CID 97020312) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
PubChem CID97020312
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESC[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C23H27N3O3/c1-17(16-18-8-10-20(27)11-9-18)25(2)22(28)12-13-23(29)26-15-14-21(24-26)19-6-4-3-5-7-19/h3-11,17,27H,12-16H2,1-2H3/t17-/m1/s1
InChIKeyCDTUSQJYJXMEPL-QGZVFWFLSA-N
XLogP3.20
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The IUPAC name of N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (CID 97020312) is N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.
What is the SMILES notation for N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The canonical SMILES for N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1.
What is the InChIKey of N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The InChIKey is CDTUSQJYJXMEPL-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17(16-18-8-10-20(27)11-9-18)25(2)22(28)12-13-23(29)26-15-14-21(24-26)19-6-4-3-5-7-19/h3-11,17,27H,12-16H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide has a molecular weight of 393.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is sourced from PubChem (CID 97020312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).