N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H23N3O2 — CID 35254055

IUPACN-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N[C@@H](C)[C@H]1CCCO1
InChIInChI=1S/C14H23N3O2/c1-9-12(11(3)17(4)16-9)8-14(18)15-10(2)13-6-5-7-19-13/h10,13H,5-8H2,1-4H3,(H,15,18)/t10-,13+/m0/s1
InChIKeyWHTBCSZUAVHSSK-GXFFZTMASA-N
MW265.36 g/mol
LogP1.26
Rot. Bonds4

About N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 35254055) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID35254055
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N[C@@H](C)[C@H]1CCCO1
InChIInChI=1S/C14H23N3O2/c1-9-12(11(3)17(4)16-9)8-14(18)15-10(2)13-6-5-7-19-13/h10,13H,5-8H2,1-4H3,(H,15,18)/t10-,13+/m0/s1
InChIKeyWHTBCSZUAVHSSK-GXFFZTMASA-N
XLogP1.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
2-(3-methyl-4-oxophthalazin-1-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35234780
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
CID 51390176
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate
CID 61342578
1,3-dimethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 35251975
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
(2R)-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
CID 78975678

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 35254055) is N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)N[C@@H](C)[C@H]1CCCO1.
What is the InChIKey of N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is WHTBCSZUAVHSSK-GXFFZTMASA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-12(11(3)17(4)16-9)8-14(18)15-10(2)13-6-5-7-19-13/h10,13H,5-8H2,1-4H3,(H,15,18)/t10-,13+/m0/s1.
What are the key properties of N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 35254055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).