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

C11H17N3O2 — CID 11218347

IUPACtert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(N)cc1C1CC1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-8(7-4-5-7)6-9(12)13-14/h6-7H,4-5H2,1-3H3,(H2,12,13)
InChIKeyYQDHRHYFLKUTQX-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.13
Rot. Bonds1

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

tert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate (PubChem CID 11218347) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate
PubChem CID11218347
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(N)cc1C1CC1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-8(7-4-5-7)6-9(12)13-14/h6-7H,4-5H2,1-3H3,(H2,12,13)
InChIKeyYQDHRHYFLKUTQX-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate (CID 11218347) is tert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate is CC(C)(C)OC(=O)n1nc(N)cc1C1CC1.
What is the InChIKey of tert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate?
The InChIKey is YQDHRHYFLKUTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-8(7-4-5-7)6-9(12)13-14/h6-7H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of tert-butyl 3-amino-5-cyclopropylpyrazole-1-carboxylate?
tert-butyl 3-amino-5-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 3-amino-5-cyclopropylpyrazole-1-carboxylate is sourced from PubChem (CID 11218347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).