tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate

C17H29N3O2 — CID 118167243

IUPACtert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)Cn1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H29N3O2/c1-13(2)12-20-11-8-15(18-20)14-6-9-19(10-7-14)16(21)22-17(3,4)5/h8,11,13-14H,6-7,9-10,12H2,1-5H3
InChIKeyIPEFAEIMBHCHIE-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.65
Rot. Bonds3

About tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate (PubChem CID 118167243) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate
PubChem CID118167243
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)Cn1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H29N3O2/c1-13(2)12-20-11-8-15(18-20)14-6-9-19(10-7-14)16(21)22-17(3,4)5/h8,11,13-14H,6-7,9-10,12H2,1-5H3
InChIKeyIPEFAEIMBHCHIE-UHFFFAOYSA-N
XLogP3.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate (CID 118167243) is tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate is CC(C)Cn1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate?
The InChIKey is IPEFAEIMBHCHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)12-20-11-8-15(18-20)14-6-9-19(10-7-14)16(21)22-17(3,4)5/h8,11,13-14H,6-7,9-10,12H2,1-5H3.
What are the key properties of tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate has a molecular weight of 307.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 118167243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).