methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate

C13H20ClN3O2 — CID 103491885

IUPACmethyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
SMILESCOC(=O)C(Cl)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H20ClN3O2/c1-19-13(18)12(14)9-15-8-10-6-7-17(16-10)11-4-2-3-5-11/h6-7,11-12,15H,2-5,8-9H2,1H3
InChIKeyVPCJTACAZLTFFN-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.87
Rot. Bonds6

About methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate

methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate (PubChem CID 103491885) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
PubChem CID103491885
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Namemethyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
SMILESCOC(=O)C(Cl)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H20ClN3O2/c1-19-13(18)12(14)9-15-8-10-6-7-17(16-10)11-4-2-3-5-11/h6-7,11-12,15H,2-5,8-9H2,1H3
InChIKeyVPCJTACAZLTFFN-UHFFFAOYSA-N
XLogP1.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate 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

3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide
CID 114154013
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine
CID 106286304
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 64800694
3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
CID 113349012
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
CID 113294661

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate?
The IUPAC name of methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate (CID 103491885) is methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate is COC(=O)C(Cl)CNCc1ccn(C2CCCC2)n1.
What is the InChIKey of methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate?
The InChIKey is VPCJTACAZLTFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-19-13(18)12(14)9-15-8-10-6-7-17(16-10)11-4-2-3-5-11/h6-7,11-12,15H,2-5,8-9H2,1H3.
What are the key properties of methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate?
methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate has a molecular weight of 285.77 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate is sourced from PubChem (CID 103491885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).