methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate

C11H19N3O2 — CID 112671468

IUPACmethyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
SMILESCCc1nn(C)cc1C(CC(=O)OC)NC
InChIInChI=1S/C11H19N3O2/c1-5-9-8(7-14(3)13-9)10(12-2)6-11(15)16-4/h7,10,12H,5-6H2,1-4H3
InChIKeyFGUKKPRBZPFFTQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.81
Rot. Bonds5

About methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate

methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate (PubChem CID 112671468) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
PubChem CID112671468
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namemethyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
SMILESCCc1nn(C)cc1C(CC(=O)OC)NC
InChIInChI=1S/C11H19N3O2/c1-5-9-8(7-14(3)13-9)10(12-2)6-11(15)16-4/h7,10,12H,5-6H2,1-4H3
InChIKeyFGUKKPRBZPFFTQ-UHFFFAOYSA-N
XLogP0.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
CID 103955778
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156
(3S)-3-acetamido-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 103955785
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine
CID 102812096
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate
CID 112671090
2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812422
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 102812738
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
[1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbut-3-enyl]hydrazine
CID 102813154
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
CID 102812579
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine
CID 107011544

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate?
The IUPAC name of methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate (CID 112671468) is methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate?
The canonical SMILES for methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate is CCc1nn(C)cc1C(CC(=O)OC)NC.
What is the InChIKey of methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate?
The InChIKey is FGUKKPRBZPFFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-9-8(7-14(3)13-9)10(12-2)6-11(15)16-4/h7,10,12H,5-6H2,1-4H3.
What are the key properties of methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate?
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate has a molecular weight of 225.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate is sourced from PubChem (CID 112671468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).