2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C20H27N3O2 — CID 136587064

IUPAC2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)N[C@H]1c2ccccc2CC[C@H]1O
InChIInChI=1S/C20H27N3O2/c1-4-16-15(17(5-2)23(3)22-16)12-19(25)21-20-14-9-7-6-8-13(14)10-11-18(20)24/h6-9,18,20,24H,4-5,10-12H2,1-3H3,(H,21,25)/t18-,20+/m1/s1
InChIKeyIUXSSQMYNLZJSI-QUCCMNQESA-N
MW341.46 g/mol
LogP2.25
Rot. Bonds5

About 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 136587064) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID136587064
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)N[C@H]1c2ccccc2CC[C@H]1O
InChIInChI=1S/C20H27N3O2/c1-4-16-15(17(5-2)23(3)22-16)12-19(25)21-20-14-9-7-6-8-13(14)10-11-18(20)24/h6-9,18,20,24H,4-5,10-12H2,1-3H3,(H,21,25)/t18-,20+/m1/s1
InChIKeyIUXSSQMYNLZJSI-QUCCMNQESA-N
XLogP2.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 109479954
N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 126831975
2-(3,5-diethyl-1-methylpyrazol-4-yl)-1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]ethanone
CID 139004889
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18103852
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 10293617
1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 109481925
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide
CID 138024753
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 136587064) is 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CCc1nn(C)c(CC)c1CC(=O)N[C@H]1c2ccccc2CC[C@H]1O.
What is the InChIKey of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is IUXSSQMYNLZJSI-QUCCMNQESA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-16-15(17(5-2)23(3)22-16)12-19(25)21-20-14-9-7-6-8-13(14)10-11-18(20)24/h6-9,18,20,24H,4-5,10-12H2,1-3H3,(H,21,25)/t18-,20+/m1/s1.
What are the key properties of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 136587064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).