ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate

C11H18ClN3O2 — CID 64705267

IUPACethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)n1cc(Cl)cn1
InChIInChI=1S/C11H18ClN3O2/c1-4-17-10(16)11(3,13)5-8(2)15-7-9(12)6-14-15/h6-8H,4-5,13H2,1-3H3
InChIKeyNYNCCLXUGZHWGY-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.77
Rot. Bonds5

About ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate

ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate (PubChem CID 64705267) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate
PubChem CID64705267
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Nameethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)n1cc(Cl)cn1
InChIInChI=1S/C11H18ClN3O2/c1-4-17-10(16)11(3,13)5-8(2)15-7-9(12)6-14-15/h6-8H,4-5,13H2,1-3H3
InChIKeyNYNCCLXUGZHWGY-UHFFFAOYSA-N
XLogP1.77
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate 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

ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64705271
methyl 4-(4-chloropyrazol-1-yl)-2-(ethylamino)-2-methylpentanoate
CID 64705428
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64705270
methyl 2-amino-4-(4-iodopyrazol-1-yl)-2-methylpentanoate
CID 64706285
ethyl 2-amino-3-(4-chloropyrazol-1-yl)butanoate
CID 165485934
ethyl 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpentanoate
CID 64707722
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64703087
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanoate
CID 64705259
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64809659
ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate
CID 64704252
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
ethyl 2-amino-4-[(4-chlorophenyl)methylsulfanyl]-2-methylpentanoate
CID 114791838

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate?
The IUPAC name of ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate (CID 64705267) is ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate?
The canonical SMILES for ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate is CCOC(=O)C(C)(N)CC(C)n1cc(Cl)cn1.
What is the InChIKey of ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate?
The InChIKey is NYNCCLXUGZHWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-4-17-10(16)11(3,13)5-8(2)15-7-9(12)6-14-15/h6-8H,4-5,13H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate?
ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate has a molecular weight of 259.74 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate is sourced from PubChem (CID 64705267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).