methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate

C15H25N3O3 — CID 43431496

IUPACmethyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cc1c(C)nn(C)c1C)C(=O)OC
InChIInChI=1S/C15H25N3O3/c1-7-8-15(4,14(20)21-6)16-13(19)9-12-10(2)17-18(5)11(12)3/h7-9H2,1-6H3,(H,16,19)
InChIKeyCIDCKBUPVZZOER-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.43
Rot. Bonds6

About methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate

methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate (PubChem CID 43431496) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate
PubChem CID43431496
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Namemethyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cc1c(C)nn(C)c1C)C(=O)OC
InChIInChI=1S/C15H25N3O3/c1-7-8-15(4,14(20)21-6)16-13(19)9-12-10(2)17-18(5)11(12)3/h7-9H2,1-6H3,(H,16,19)
InChIKeyCIDCKBUPVZZOER-UHFFFAOYSA-N
XLogP1.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43044813
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 138036265
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide
CID 48651580
methyl (2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoate
CID 48653643
methyl 2-[N-(cyanomethyl)-2-[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetamido]acetate
CID 72129938
1-[[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 72151970
2-[[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 75372632
2-[[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpentanoic acid
CID 75428917
3,3,3-Trifluoro-2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 79791479
2-[[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588734
(2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 97215070
(2R)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 97215071

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate (CID 43431496) is methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate is CCCC(C)(NC(=O)Cc1c(C)nn(C)c1C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate?
The InChIKey is CIDCKBUPVZZOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-7-8-15(4,14(20)21-6)16-13(19)9-12-10(2)17-18(5)11(12)3/h7-9H2,1-6H3,(H,16,19).
What are the key properties of methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate?
methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate has a molecular weight of 295.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate is sourced from PubChem (CID 43431496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).