1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine

C12H21N3 — CID 58477491

IUPAC1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)(C)c1cn[nH]c1N1CCCCC1
InChIInChI=1S/C12H21N3/c1-12(2,3)10-9-13-14-11(10)15-7-5-4-6-8-15/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyQNFBWEKMLAJMLP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.70
Rot. Bonds1

About 1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine

1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine (PubChem CID 58477491) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine
PubChem CID58477491
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)(C)c1cn[nH]c1N1CCCCC1
InChIInChI=1S/C12H21N3/c1-12(2,3)10-9-13-14-11(10)15-7-5-4-6-8-15/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyQNFBWEKMLAJMLP-UHFFFAOYSA-N
XLogP2.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine (CID 58477491) is 1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine is CC(C)(C)c1cn[nH]c1N1CCCCC1.
What is the InChIKey of 1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is QNFBWEKMLAJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)10-9-13-14-11(10)15-7-5-4-6-8-15/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine?
1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 58477491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).