methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate

C12H19N3O3 — CID 114274338

IUPACmethyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCCOc1cnn(C2CCC(N)(C(=O)OC)C2)c1
InChIInChI=1S/C12H19N3O3/c1-3-18-10-7-14-15(8-10)9-4-5-12(13,6-9)11(16)17-2/h7-9H,3-6,13H2,1-2H3
InChIKeyMDPVFWXWTGLVRJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.88
Rot. Bonds4

About methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate

methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate (PubChem CID 114274338) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate
PubChem CID114274338
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCCOc1cnn(C2CCC(N)(C(=O)OC)C2)c1
InChIInChI=1S/C12H19N3O3/c1-3-18-10-7-14-15(8-10)9-4-5-12(13,6-9)11(16)17-2/h7-9H,3-6,13H2,1-2H3
InChIKeyMDPVFWXWTGLVRJ-UHFFFAOYSA-N
XLogP0.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate (CID 114274338) is methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate is CCOc1cnn(C2CCC(N)(C(=O)OC)C2)c1.
What is the InChIKey of methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate?
The InChIKey is MDPVFWXWTGLVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-18-10-7-14-15(8-10)9-4-5-12(13,6-9)11(16)17-2/h7-9H,3-6,13H2,1-2H3.
What are the key properties of methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate?
methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 114274338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).