methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate

C13H23N3O2 — CID 82695143

IUPACmethyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate
SMILESCCc1cc(CC)n(CC(C)(NC)C(=O)OC)n1
InChIInChI=1S/C13H23N3O2/c1-6-10-8-11(7-2)16(15-10)9-13(3,14-4)12(17)18-5/h8,14H,6-7,9H2,1-5H3
InChIKeyUTDYFPRFLMLAJF-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.16
Rot. Bonds6

About methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate

methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate (PubChem CID 82695143) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate
PubChem CID82695143
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Namemethyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate
SMILESCCc1cc(CC)n(CC(C)(NC)C(=O)OC)n1
InChIInChI=1S/C13H23N3O2/c1-6-10-8-11(7-2)16(15-10)9-13(3,14-4)12(17)18-5/h8,14H,6-7,9H2,1-5H3
InChIKeyUTDYFPRFLMLAJF-UHFFFAOYSA-N
XLogP1.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate
CID 82694955
methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate
CID 82699135
methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate
CID 82694733
3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide
CID 82700121
4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide
CID 82699974
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole
CID 82698927
ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
CID 82693116
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779
1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116586963
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
3,5-diethyl-1-propylpyrazole
CID 82699697

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate?
The IUPAC name of methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate (CID 82695143) is methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate is CCc1cc(CC)n(CC(C)(NC)C(=O)OC)n1.
What is the InChIKey of methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate?
The InChIKey is UTDYFPRFLMLAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-10-8-11(7-2)16(15-10)9-13(3,14-4)12(17)18-5/h8,14H,6-7,9H2,1-5H3.
What are the key properties of methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate?
methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate has a molecular weight of 253.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 82695143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).