tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate

C13H22N4O2 — CID 138991379

IUPACtert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cn[nH]c1C1CCCCN1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-10-8-15-17-11(10)9-6-4-5-7-14-9/h8-9,14H,4-7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyFKYCZXSBUFEAIG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate

tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate (PubChem CID 138991379) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate
PubChem CID138991379
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cn[nH]c1C1CCCCN1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-10-8-15-17-11(10)9-6-4-5-7-14-9/h8-9,14H,4-7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyFKYCZXSBUFEAIG-UHFFFAOYSA-N
XLogP2.57
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate (CID 138991379) is tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate is CC(C)(C)OC(=O)Nc1cn[nH]c1C1CCCCN1.
What is the InChIKey of tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate?
The InChIKey is FKYCZXSBUFEAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-10-8-15-17-11(10)9-6-4-5-7-14-9/h8-9,14H,4-7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate?
tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate is sourced from PubChem (CID 138991379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).