tert-butyl 3-(3-aminopyrazol-1-yl)propanoate

C10H17N3O2 — CID 67190548

IUPACtert-butyl 3-(3-aminopyrazol-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCn1ccc(N)n1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)5-7-13-6-4-8(11)12-13/h4,6H,5,7H2,1-3H3,(H2,11,12)
InChIKeyYCSMPEIHJBMMOG-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.20
Rot. Bonds3

About tert-butyl 3-(3-aminopyrazol-1-yl)propanoate

tert-butyl 3-(3-aminopyrazol-1-yl)propanoate (PubChem CID 67190548) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl 3-(3-aminopyrazol-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(3-aminopyrazol-1-yl)propanoate
PubChem CID67190548
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl 3-(3-aminopyrazol-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCn1ccc(N)n1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)5-7-13-6-4-8(11)12-13/h4,6H,5,7H2,1-3H3,(H2,11,12)
InChIKeyYCSMPEIHJBMMOG-UHFFFAOYSA-N
XLogP1.20
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-aminopyrazol-1-yl)propanoate?
The IUPAC name of tert-butyl 3-(3-aminopyrazol-1-yl)propanoate (CID 67190548) is tert-butyl 3-(3-aminopyrazol-1-yl)propanoate.
What is the SMILES notation for tert-butyl 3-(3-aminopyrazol-1-yl)propanoate?
The canonical SMILES for tert-butyl 3-(3-aminopyrazol-1-yl)propanoate is CC(C)(C)OC(=O)CCn1ccc(N)n1.
What is the InChIKey of tert-butyl 3-(3-aminopyrazol-1-yl)propanoate?
The InChIKey is YCSMPEIHJBMMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)5-7-13-6-4-8(11)12-13/h4,6H,5,7H2,1-3H3,(H2,11,12).
What are the key properties of tert-butyl 3-(3-aminopyrazol-1-yl)propanoate?
tert-butyl 3-(3-aminopyrazol-1-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-aminopyrazol-1-yl)propanoate is sourced from PubChem (CID 67190548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).