(2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide

C21H27N3O — CID 97014680

IUPAC(2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide
SMILESO=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H](c1ccccc1)n1cccn1
InChIInChI=1S/C21H27N3O/c25-21(23-19-12-11-16-7-4-5-10-18(16)15-19)20(24-14-6-13-22-24)17-8-2-1-3-9-17/h1-3,6,8-9,13-14,16,18-20H,4-5,7,10-12,15H2,(H,23,25)/t16-,18+,19+,20-/m0/s1
InChIKeyVKXYMZHVXCINEW-NBYUQASBSA-N
MW337.47 g/mol
LogP3.95
Rot. Bonds4

About (2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide

(2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide (PubChem CID 97014680) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound Name(2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide
PubChem CID97014680
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide
SMILESO=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H](c1ccccc1)n1cccn1
InChIInChI=1S/C21H27N3O/c25-21(23-19-12-11-16-7-4-5-10-18(16)15-19)20(24-14-6-13-22-24)17-8-2-1-3-9-17/h1-3,6,8-9,13-14,16,18-20H,4-5,7,10-12,15H2,(H,23,25)/t16-,18+,19+,20-/m0/s1
InChIKeyVKXYMZHVXCINEW-NBYUQASBSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide with MolForge

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Related Compounds

4-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 119230000
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CID 51108379
(1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 166275767
(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 100844368
(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 98759043
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 51104109
N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide
CID 56503653
(2R)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 94822827
N-(2-hydroxy-2-phenylethyl)-2-phenyl-2-pyrazol-1-ylacetamide
CID 51103317
(2R)-N-cyclohexyl-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 39350754
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl (2S)-2-phenyl-2-pyrazol-1-ylacetate
CID 98787026
2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide?
The IUPAC name of (2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide (CID 97014680) is (2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide.
What is the SMILES notation for (2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide?
The canonical SMILES for (2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide is O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H](c1ccccc1)n1cccn1.
What is the InChIKey of (2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide?
The InChIKey is VKXYMZHVXCINEW-NBYUQASBSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(23-19-12-11-16-7-4-5-10-18(16)15-19)20(24-14-6-13-22-24)17-8-2-1-3-9-17/h1-3,6,8-9,13-14,16,18-20H,4-5,7,10-12,15H2,(H,23,25)/t16-,18+,19+,20-/m0/s1.
What are the key properties of (2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide?
(2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide has a molecular weight of 337.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 97014680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).