5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde

C20H16N2O — CID 3453890

IUPAC5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde
SMILESO=CN1N=C(c2ccc3ccccc3c2)CC1c1ccccc1
InChIInChI=1S/C20H16N2O/c23-14-22-20(16-7-2-1-3-8-16)13-19(21-22)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,14,20H,13H2
InChIKeyZDVYLNJZXDEJGP-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.15
Rot. Bonds3

About 5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde

5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde (PubChem CID 3453890) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde.

Molecular Properties

Compound Name5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde
PubChem CID3453890
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde
SMILESO=CN1N=C(c2ccc3ccccc3c2)CC1c1ccccc1
InChIInChI=1S/C20H16N2O/c23-14-22-20(16-7-2-1-3-8-16)13-19(21-22)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,14,20H,13H2
InChIKeyZDVYLNJZXDEJGP-UHFFFAOYSA-N
XLogP4.15
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[4-(dimethylamino)phenyl]-5-naphthalen-2-yl-3,4-dihydropyrazole-2-carbaldehyde
CID 765180
3-phenyl-5-[3-(pyridin-4-ylamino)phenyl]-3,4-dihydropyrazole-2-carbaldehyde
CID 155806429
(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 6925478
[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 1217411
(5Z)-5-[[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 127050472
(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
1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-yloxyethanone
CID 40606704
1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 25344209
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
3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 134613023
(5R,10bS)-7,9-dichloro-2-naphthalen-2-yl-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92957431

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The IUPAC name of 5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde (CID 3453890) is 5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde.
What is the SMILES notation for 5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The canonical SMILES for 5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde is O=CN1N=C(c2ccc3ccccc3c2)CC1c1ccccc1.
What is the InChIKey of 5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The InChIKey is ZDVYLNJZXDEJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c23-14-22-20(16-7-2-1-3-8-16)13-19(21-22)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,14,20H,13H2.
What are the key properties of 5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde has a molecular weight of 300.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde is sourced from PubChem (CID 3453890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).