ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate

C14H23N3O2 — CID 64800694

IUPACethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-2-19-14(18)7-9-15-11-12-8-10-17(16-12)13-5-3-4-6-13/h8,10,13,15H,2-7,9,11H2,1H3
InChIKeyHGJDDJCVQMPZFN-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.04
Rot. Bonds7

About ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate

ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate (PubChem CID 64800694) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
PubChem CID64800694
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-2-19-14(18)7-9-15-11-12-8-10-17(16-12)13-5-3-4-6-13/h8,10,13,15H,2-7,9,11H2,1H3
InChIKeyHGJDDJCVQMPZFN-UHFFFAOYSA-N
XLogP2.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 103491885
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 64777182
3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide
CID 114154013
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106256545
ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 64778071
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate?
The IUPAC name of ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate (CID 64800694) is ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate?
The canonical SMILES for ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate is CCOC(=O)CCNCc1ccn(C2CCCC2)n1.
What is the InChIKey of ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate?
The InChIKey is HGJDDJCVQMPZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-19-14(18)7-9-15-11-12-8-10-17(16-12)13-5-3-4-6-13/h8,10,13,15H,2-7,9,11H2,1H3.
What are the key properties of ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate?
ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate has a molecular weight of 265.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate is sourced from PubChem (CID 64800694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).