methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate

C19H19N3O3 — CID 97425255

IUPACmethyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate
SMILESCOC(=O)C[C@H](c1cccnc1)c1c(Cc2ccccc2)[nH][nH]c1=O
InChIInChI=1S/C19H19N3O3/c1-25-17(23)11-15(14-8-5-9-20-12-14)18-16(21-22-19(18)24)10-13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyUAARBACWDFCZOY-OAHLLOKOSA-N
MW337.38 g/mol
LogP2.38
Rot. Bonds6

About methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate

methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate (PubChem CID 97425255) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate
PubChem CID97425255
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate
SMILESCOC(=O)C[C@H](c1cccnc1)c1c(Cc2ccccc2)[nH][nH]c1=O
InChIInChI=1S/C19H19N3O3/c1-25-17(23)11-15(14-8-5-9-20-12-14)18-16(21-22-19(18)24)10-13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyUAARBACWDFCZOY-OAHLLOKOSA-N
XLogP2.38
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate
CID 96558332
methyl (3S)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-(3,4,5-trifluorophenyl)propanoate
CID 97426262
methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-(3,4,5-trimethoxyphenyl)propanoate
CID 97425442
methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 97425650
methyl (3S)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 97425425
methyl (3S)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-(2,3,4-trimethoxyphenyl)propanoate
CID 97424067
methyl 3-(propan-2-ylamino)-3-pyridin-3-ylpropanoate
CID 140629631
methyl 3-(1-pyridin-3-ylethylamino)butanoate
CID 43537085
2,3-dihydroxybutanedioic acid;methyl (3S)-3-amino-3-pyridin-3-ylpropanoate
CID 158321669
methyl (3R)-3-(7-methoxy-1,3-benzodioxol-5-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanoate
CID 97423729
methyl (3R)-3-pyridin-3-yl-3-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propanoate
CID 97488572
4-[3-methoxy-3-oxo-1-[3-oxo-5-[(2,4,5-trifluorophenyl)methyl]-1,2-dihydropyrazol-4-yl]propyl]benzoic acid
CID 75356899

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate?
The IUPAC name of methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate (CID 97425255) is methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate.
What is the SMILES notation for methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate?
The canonical SMILES for methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate is COC(=O)C[C@H](c1cccnc1)c1c(Cc2ccccc2)[nH][nH]c1=O.
What is the InChIKey of methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate?
The InChIKey is UAARBACWDFCZOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-17(23)11-15(14-8-5-9-20-12-14)18-16(21-22-19(18)24)10-13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3,(H2,21,22,24)/t15-/m1/s1.
What are the key properties of methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate?
methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate has a molecular weight of 337.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 97425255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).