cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

C12H19N3O2 — CID 66117193

IUPACcyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OC2CCCC2)c1N
InChIInChI=1S/C12H19N3O2/c1-3-9-10(13)11(15(2)14-9)12(16)17-8-6-4-5-7-8/h8H,3-7,13H2,1-2H3
InChIKeyWEAHNKXQFDDJEK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.66
Rot. Bonds3

About cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (PubChem CID 66117193) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
PubChem CID66117193
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namecyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OC2CCCC2)c1N
InChIInChI=1S/C12H19N3O2/c1-3-9-10(13)11(15(2)14-9)12(16)17-8-6-4-5-7-8/h8H,3-7,13H2,1-2H3
InChIKeyWEAHNKXQFDDJEK-UHFFFAOYSA-N
XLogP1.66
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The IUPAC name of cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (CID 66117193) is cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The canonical SMILES for cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is CCc1nn(C)c(C(=O)OC2CCCC2)c1N.
What is the InChIKey of cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The InChIKey is WEAHNKXQFDDJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-9-10(13)11(15(2)14-9)12(16)17-8-6-4-5-7-8/h8H,3-7,13H2,1-2H3.
What are the key properties of cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66117193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).