ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate

C11H17N3O2 — CID 23113343

IUPACethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCCC2)nc1N
InChIInChI=1S/C11H17N3O2/c1-2-16-11(15)9-7-14(13-10(9)12)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyOCSDBQPOOOLDIB-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.76
Rot. Bonds3

About ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate

ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate (PubChem CID 23113343) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate
PubChem CID23113343
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCCC2)nc1N
InChIInChI=1S/C11H17N3O2/c1-2-16-11(15)9-7-14(13-10(9)12)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyOCSDBQPOOOLDIB-UHFFFAOYSA-N
XLogP1.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate (CID 23113343) is ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate is CCOC(=O)c1cn(C2CCCC2)nc1N.
What is the InChIKey of ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate?
The InChIKey is OCSDBQPOOOLDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-16-11(15)9-7-14(13-10(9)12)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13).
What are the key properties of ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate?
ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate is sourced from PubChem (CID 23113343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).