methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate

C12H21N3O2 — CID 114558076

IUPACmethyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate
SMILESCCC(N)C(CC(=O)OC)c1ccnn1CC
InChIInChI=1S/C12H21N3O2/c1-4-10(13)9(8-12(16)17-3)11-6-7-14-15(11)5-2/h6-7,9-10H,4-5,8,13H2,1-3H3
InChIKeyOXWQUOMDZNHEDU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.29
Rot. Bonds6

About methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate

methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate (PubChem CID 114558076) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate
PubChem CID114558076
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namemethyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate
SMILESCCC(N)C(CC(=O)OC)c1ccnn1CC
InChIInChI=1S/C12H21N3O2/c1-4-10(13)9(8-12(16)17-3)11-6-7-14-15(11)5-2/h6-7,9-10H,4-5,8,13H2,1-3H3
InChIKeyOXWQUOMDZNHEDU-UHFFFAOYSA-N
XLogP1.29
TPSA70.14 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 83680740
rac-(1R,2R)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
CID 124745805
(2S)-4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 124510723
Methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate
CID 162758075
methyl (3R)-4-[[(2S)-1-aminopropan-2-yl]-methylamino]-3-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-oxobutanoate
CID 167414666
2-Amino-2-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 64776978
2-Amino-2-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 64776979
2-Amino-3,3,3-trifluoro-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]propanoic acid
CID 64776980
2-Amino-2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 64777170
2-Amino-3,3,3-trifluoro-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanoic acid
CID 64801143
2-Amino-3,3,3-trifluoro-2-[(1-methylpyrazol-3-yl)methyl]propanoic acid
CID 82872136
4,4,4-trifluoro-3-(1-methyl-1H-pyrazol-5-yl)butanoic acid
CID 83389181

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate?
The IUPAC name of methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate (CID 114558076) is methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate.
What is the SMILES notation for methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate?
The canonical SMILES for methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate is CCC(N)C(CC(=O)OC)c1ccnn1CC.
What is the InChIKey of methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate?
The InChIKey is OXWQUOMDZNHEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-10(13)9(8-12(16)17-3)11-6-7-14-15(11)5-2/h6-7,9-10H,4-5,8,13H2,1-3H3.
What are the key properties of methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate?
methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate has a molecular weight of 239.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(2-ethylpyrazol-3-yl)hexanoate is sourced from PubChem (CID 114558076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).