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

C12H19N3O2 — CID 22309729

IUPACethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C2CCCC2)nn(C)c1N
InChIInChI=1S/C12H19N3O2/c1-3-17-12(16)9-10(8-6-4-5-7-8)14-15(2)11(9)13/h8H,3-7,13H2,1-2H3
InChIKeyHBFFAXRTUUGMAB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.84
Rot. Bonds3

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

ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate (PubChem CID 22309729) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate
PubChem CID22309729
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C2CCCC2)nn(C)c1N
InChIInChI=1S/C12H19N3O2/c1-3-17-12(16)9-10(8-6-4-5-7-8)14-15(2)11(9)13/h8H,3-7,13H2,1-2H3
InChIKeyHBFFAXRTUUGMAB-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22309747
ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate
CID 22309705
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
5-cyclopentyl-2,4-dimethylpyrazol-3-amine
CID 43158729
ethyl 5-amino-1-(3-chloro-4-fluorophenyl)-3-cyclobutylpyrazole-4-carboxylate
CID 22309711
5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine
CID 79406049
ethyl 5-cycloheptyl-2H-triazole-4-carboxylate
CID 165488917
ethyl 3,5-dibromo-1-methylpyrazole-4-carboxylate
CID 24799526
ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate
CID 174944761
ethyl 5-amino-4-bromo-1-cyclopentylpyrazole-3-carboxylate
CID 112707157
ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate
CID 118617465
benzyl 3-cyclohexyl-5-methyl-1-phenylpyrazole-4-carboxylate
CID 134951291

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate (CID 22309729) is ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate is CCOC(=O)c1c(C2CCCC2)nn(C)c1N.
What is the InChIKey of ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate?
The InChIKey is HBFFAXRTUUGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-12(16)9-10(8-6-4-5-7-8)14-15(2)11(9)13/h8H,3-7,13H2,1-2H3.
What are the key properties of ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate?
ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 22309729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).