tert-butyl formate;1H-pyrazol-4-amine

C8H15N3O2 — CID 161148068

IUPACtert-butyl formate;1H-pyrazol-4-amine
SMILESCC(C)(C)OC=O.Nc1cn[nH]c1
InChIInChI=1S/C5H10O2.C3H5N3/c1-5(2,3)7-4-6;4-3-1-5-6-2-3/h4H,1-3H3;1-2H,4H2,(H,5,6)
InChIKeyUOHUSGBCNQKXKS-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.95
Rot. Bonds1

About tert-butyl formate;1H-pyrazol-4-amine

tert-butyl formate;1H-pyrazol-4-amine (PubChem CID 161148068) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is tert-butyl formate;1H-pyrazol-4-amine.

Molecular Properties

Compound Nametert-butyl formate;1H-pyrazol-4-amine
PubChem CID161148068
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Nametert-butyl formate;1H-pyrazol-4-amine
SMILESCC(C)(C)OC=O.Nc1cn[nH]c1
InChIInChI=1S/C5H10O2.C3H5N3/c1-5(2,3)7-4-6;4-3-1-5-6-2-3/h4H,1-3H3;1-2H,4H2,(H,5,6)
InChIKeyUOHUSGBCNQKXKS-UHFFFAOYSA-N
XLogP0.95
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1H-pyrazol-4-amine?
The IUPAC name of tert-butyl formate;1H-pyrazol-4-amine (CID 161148068) is tert-butyl formate;1H-pyrazol-4-amine.
What is the SMILES notation for tert-butyl formate;1H-pyrazol-4-amine?
The canonical SMILES for tert-butyl formate;1H-pyrazol-4-amine is CC(C)(C)OC=O.Nc1cn[nH]c1.
What is the InChIKey of tert-butyl formate;1H-pyrazol-4-amine?
The InChIKey is UOHUSGBCNQKXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C3H5N3/c1-5(2,3)7-4-6;4-3-1-5-6-2-3/h4H,1-3H3;1-2H,4H2,(H,5,6).
What are the key properties of tert-butyl formate;1H-pyrazol-4-amine?
tert-butyl formate;1H-pyrazol-4-amine has a molecular weight of 185.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1H-pyrazol-4-amine is sourced from PubChem (CID 161148068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).