2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C22H25N3O — CID 26508107

IUPAC2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCN(CC(=O)N1CCC(c2ccccc2)=N1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H25N3O/c1-24(21-13-7-11-17-8-5-6-12-19(17)21)16-22(26)25-15-14-20(23-25)18-9-3-2-4-10-18/h2-6,8-10,12,21H,7,11,13-16H2,1H3/t21-/m1/s1
InChIKeyWFCRUWRYYXQFLZ-OAQYLSRUSA-N
MW347.46 g/mol
LogP3.63
Rot. Bonds4

About 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 26508107) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID26508107
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCN(CC(=O)N1CCC(c2ccccc2)=N1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H25N3O/c1-24(21-13-7-11-17-8-5-6-12-19(17)21)16-22(26)25-15-14-20(23-25)18-9-3-2-4-10-18/h2-6,8-10,12,21H,7,11,13-16H2,1H3/t21-/m1/s1
InChIKeyWFCRUWRYYXQFLZ-OAQYLSRUSA-N
XLogP3.63
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone
CID 61017757
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8552435
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 8810512
1-[2-(2-methylphenyl)pyrrolidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55888780
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(phenylcarbamoyl)acetamide
CID 8680982
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55677294
N-(1-methylpyrazol-3-yl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 124758545
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanone
CID 8680930
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide
CID 8681009
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 26508107) is 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is CN(CC(=O)N1CCC(c2ccccc2)=N1)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is WFCRUWRYYXQFLZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25N3O/c1-24(21-13-7-11-17-8-5-6-12-19(17)21)16-22(26)25-15-14-20(23-25)18-9-3-2-4-10-18/h2-6,8-10,12,21H,7,11,13-16H2,1H3/t21-/m1/s1.
What are the key properties of 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 347.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 26508107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).