(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole

C21H20N2O — CID 6925478

IUPAC(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C)cc1
InChIInChI=1S/C21H20N2O/c1-23-21(16-9-11-19(24-2)12-10-16)14-20(22-23)18-8-7-15-5-3-4-6-17(15)13-18/h3-13,21H,14H2,1-2H3/t21-/m1/s1
InChIKeyNYNFVPCCLKJLBA-OAQYLSRUSA-N
MW316.40 g/mol
LogP4.63
Rot. Bonds3

About (3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole

(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole (PubChem CID 6925478) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
PubChem CID6925478
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C)cc1
InChIInChI=1S/C21H20N2O/c1-23-21(16-9-11-19(24-2)12-10-16)14-20(22-23)18-8-7-15-5-3-4-6-17(15)13-18/h3-13,21H,14H2,1-2H3/t21-/m1/s1
InChIKeyNYNFVPCCLKJLBA-OAQYLSRUSA-N
XLogP4.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 5019320
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
2-(azocan-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 32700570
1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 41144473
3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 101353548
1-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-quinolin-2-ylsulfanylethanone
CID 26888939
2-[(E)-benzylideneamino]oxy-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16545192
1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 25352601
1-[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 4881917
5,5-diethyl-3-[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 3682631
5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 41101773
2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 17411276

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole (CID 6925478) is (3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole is COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
The InChIKey is NYNFVPCCLKJLBA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20N2O/c1-23-21(16-9-11-19(24-2)12-10-16)14-20(22-23)18-8-7-15-5-3-4-6-17(15)13-18/h3-13,21H,14H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole has a molecular weight of 316.40 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 6925478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).