ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate

C10H17N3O2 — CID 165475420

IUPACethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate
SMILESCCOC(=O)C(NC)C(C)n1cccn1
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)9(11-3)8(2)13-7-5-6-12-13/h5-9,11H,4H2,1-3H3
InChIKeyWCROSJHKKRKVCF-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.60
Rot. Bonds5

About ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate

ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate (PubChem CID 165475420) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate
PubChem CID165475420
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate
SMILESCCOC(=O)C(NC)C(C)n1cccn1
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)9(11-3)8(2)13-7-5-6-12-13/h5-9,11H,4H2,1-3H3
InChIKeyWCROSJHKKRKVCF-UHFFFAOYSA-N
XLogP0.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate 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

diethyl 2-[phenyl(pyrazol-1-yl)methyl]propanedioate
CID 12581035
(2S)-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]hexanamide
CID 95319251
ethyl 2-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propanoate
CID 114270845
1-(diethoxymethyl)pyrazole
CID 91618471
methyl (2R)-2-amino-2-pyrazol-1-ylacetate
CID 122173749
N-(1-aminopropan-2-yl)-2-pyrazol-1-ylpropanamide
CID 63732994
2-pyrazol-1-ylpentanehydrazide
CID 83048331
ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate
CID 42576961
3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide
CID 165490241
(2S)-2-pyrazol-1-ylpropanamide
CID 42576360
2-pyrazol-1-ylpropanamide
CID 25248322
1-(3-methylbutan-2-yl)pyrazole
CID 59320460

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate?
The IUPAC name of ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate (CID 165475420) is ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate.
What is the SMILES notation for ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate?
The canonical SMILES for ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate is CCOC(=O)C(NC)C(C)n1cccn1.
What is the InChIKey of ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate?
The InChIKey is WCROSJHKKRKVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(14)9(11-3)8(2)13-7-5-6-12-13/h5-9,11H,4H2,1-3H3.
What are the key properties of ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate?
ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate has a molecular weight of 211.26 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate is sourced from PubChem (CID 165475420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).