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

C12H21N3O2 — CID 82694733

IUPACmethyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate
SMILESCCc1cc(CC)n(CC(NC)C(=O)OC)n1
InChIInChI=1S/C12H21N3O2/c1-5-9-7-10(6-2)15(14-9)8-11(13-3)12(16)17-4/h7,11,13H,5-6,8H2,1-4H3
InChIKeyVABXRSXCROQSSN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.77
Rot. Bonds6

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

methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate (PubChem CID 82694733) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate
PubChem CID82694733
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namemethyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate
SMILESCCc1cc(CC)n(CC(NC)C(=O)OC)n1
InChIInChI=1S/C12H21N3O2/c1-5-9-7-10(6-2)15(14-9)8-11(13-3)12(16)17-4/h7,11,13H,5-6,8H2,1-4H3
InChIKeyVABXRSXCROQSSN-UHFFFAOYSA-N
XLogP0.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate
CID 82695361
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148
ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
CID 82693116
1-(3,5-diethylpyrazol-1-yl)butan-2-ol
CID 82694356
methyl 3-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]-2-methylpropanoate
CID 66114468
methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate
CID 82695143
ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate
CID 82699023
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
CID 82693464

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate?
The IUPAC name of methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate (CID 82694733) is methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate is CCc1cc(CC)n(CC(NC)C(=O)OC)n1.
What is the InChIKey of methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate?
The InChIKey is VABXRSXCROQSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-9-7-10(6-2)15(14-9)8-11(13-3)12(16)17-4/h7,11,13H,5-6,8H2,1-4H3.
What are the key properties of methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate?
methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate has a molecular weight of 239.32 g/mol, XLogP of 0.77, 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-(methylamino)propanoate is sourced from PubChem (CID 82694733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).