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

C11H17N3O2 — CID 11356513

IUPACtert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(C2CC2)cc1N
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9(12)6-8(13-14)7-4-5-7/h6-7H,4-5,12H2,1-3H3
InChIKeyLIRVTXMQFQGLQV-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.13
Rot. Bonds1

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

tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate (PubChem CID 11356513) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate
PubChem CID11356513
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(C2CC2)cc1N
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9(12)6-8(13-14)7-4-5-7/h6-7H,4-5,12H2,1-3H3
InChIKeyLIRVTXMQFQGLQV-UHFFFAOYSA-N
XLogP2.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 18423587
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tert-butyl 4-(5-amino-1-benzhydrylpyrazol-3-yl)piperidine-1-carboxylate
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tert-butyl 5-[2-(4-bromophenyl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate
CID 139558779
tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate
CID 59333103
tert-butyl 4-[5-(chloromethoxycarbonyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate
CID 165440433
tert-butyl 1-methyl-3-piperidin-4-ylpyrazole-5-carboxylate
CID 125458178
tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate
CID 18423585
tert-butyl 5-amino-3-[(3,5-dimethoxyphenyl)methoxy]pyrazole-1-carboxylate
CID 66589741
tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate
CID 165381985
tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate
CID 169245289
tert-butyl 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylate;ethane
CID 145127359

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate (CID 11356513) is tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate is CC(C)(C)OC(=O)n1nc(C2CC2)cc1N.
What is the InChIKey of tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate?
The InChIKey is LIRVTXMQFQGLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9(12)6-8(13-14)7-4-5-7/h6-7H,4-5,12H2,1-3H3.
What are the key properties of tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate?
tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 2.13, 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-cyclopropylpyrazole-1-carboxylate is sourced from PubChem (CID 11356513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).