tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate

C13H21N3O2 — CID 18423587

IUPACtert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(C2CCCC2)cc1N
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-11(14)8-10(15-16)9-6-4-5-7-9/h8-9H,4-7,14H2,1-3H3
InChIKeyPYIVBZHLNDZSLE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.91
Rot. Bonds1

About tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate

tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate (PubChem CID 18423587) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate
PubChem CID18423587
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(C2CCCC2)cc1N
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-11(14)8-10(15-16)9-6-4-5-7-9/h8-9H,4-7,14H2,1-3H3
InChIKeyPYIVBZHLNDZSLE-UHFFFAOYSA-N
XLogP2.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11356513
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CID 118267766
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CID 65018284
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029491
tert-butyl (2R)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029440
tert-butyl 4-[5-(chloromethoxycarbonyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate
CID 165440433
tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 68545431
tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate
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tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
CID 73424849

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate (CID 18423587) is tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate is CC(C)(C)OC(=O)n1nc(C2CCCC2)cc1N.
What is the InChIKey of tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate?
The InChIKey is PYIVBZHLNDZSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-11(14)8-10(15-16)9-6-4-5-7-9/h8-9H,4-7,14H2,1-3H3.
What are the key properties of tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate?
tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate is sourced from PubChem (CID 18423587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).