1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone

C26H21N3O2 — CID 40606704

IUPAC1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone
SMILESO=C(COc1ccccn1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1
InChIInChI=1S/C26H21N3O2/c30-26(18-31-25-12-6-7-15-27-25)29-24(20-9-2-1-3-10-20)17-23(28-29)22-14-13-19-8-4-5-11-21(19)16-22/h1-16,24H,17-18H2/t24-/m0/s1
InChIKeyWKOABPWXFMDLAK-DEOSSOPVSA-N
MW407.47 g/mol
LogP4.99
Rot. Bonds5

About 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone

1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone (PubChem CID 40606704) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone.

Molecular Properties

Compound Name1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone
PubChem CID40606704
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone
SMILESO=C(COc1ccccn1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1
InChIInChI=1S/C26H21N3O2/c30-26(18-31-25-12-6-7-15-27-25)29-24(20-9-2-1-3-10-20)17-23(28-29)22-14-13-19-8-4-5-11-21(19)16-22/h1-16,24H,17-18H2/t24-/m0/s1
InChIKeyWKOABPWXFMDLAK-DEOSSOPVSA-N
XLogP4.99
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 3-hydroxybenzoate
CID 23769225
[2-[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 32704497
[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 42524032
(3aR,7aR)-2-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124718100
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 3350726
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 42524092
1-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone
CID 4234105
2-chloro-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 5019320
2-[(E)-benzylideneamino]oxy-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16545192
1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 25344209
[2-[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 98411607
2-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 92825947

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone?
The IUPAC name of 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone (CID 40606704) is 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone.
What is the SMILES notation for 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone?
The canonical SMILES for 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone is O=C(COc1ccccn1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1.
What is the InChIKey of 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone?
The InChIKey is WKOABPWXFMDLAK-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H21N3O2/c30-26(18-31-25-12-6-7-15-27-25)29-24(20-9-2-1-3-10-20)17-23(28-29)22-14-13-19-8-4-5-11-21(19)16-22/h1-16,24H,17-18H2/t24-/m0/s1.
What are the key properties of 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone?
1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone has a molecular weight of 407.47 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone is sourced from PubChem (CID 40606704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).