tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine

C14H26N4O2 — CID 166113731

IUPACtert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine
SMILESCC(C)(C)OC=O.CN1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C9H16N4.C5H10O2/c1-12-4-2-9(3-5-12)13-7-8(10)6-11-13;1-5(2,3)7-4-6/h6-7,9H,2-5,10H2,1H3;4H,1-3H3
InChIKeyAHGLQLQIMXMSGI-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.69
Rot. Bonds2

About tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine

tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine (PubChem CID 166113731) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Nametert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine
PubChem CID166113731
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nametert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine
SMILESCC(C)(C)OC=O.CN1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C9H16N4.C5H10O2/c1-12-4-2-9(3-5-12)13-7-8(10)6-11-13;1-5(2,3)7-4-6/h6-7,9H,2-5,10H2,1H3;4H,1-3H3
InChIKeyAHGLQLQIMXMSGI-UHFFFAOYSA-N
XLogP1.69
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?
The IUPAC name of tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine (CID 166113731) is tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine.
What is the SMILES notation for tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?
The canonical SMILES for tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine is CC(C)(C)OC=O.CN1CCC(n2cc(N)cn2)CC1.
What is the InChIKey of tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?
The InChIKey is AHGLQLQIMXMSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.C5H10O2/c1-12-4-2-9(3-5-12)13-7-8(10)6-11-13;1-5(2,3)7-4-6/h6-7,9H,2-5,10H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine?
tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine has a molecular weight of 282.39 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-(1-methylpiperidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 166113731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).