tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate

C13H16N4O2 — CID 67514899

IUPACtert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(-n2cccn2)c1
InChIInChI=1S/C13H16N4O2/c1-13(2,3)19-12(18)16-10-5-7-14-11(9-10)17-8-4-6-15-17/h4-9H,1-3H3,(H,14,16,18)
InChIKeyVEXGOWCVPRGXPV-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.61
Rot. Bonds2

About tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate

tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate (PubChem CID 67514899) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate
PubChem CID67514899
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nametert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(-n2cccn2)c1
InChIInChI=1S/C13H16N4O2/c1-13(2,3)19-12(18)16-10-5-7-14-11(9-10)17-8-4-6-15-17/h4-9H,1-3H3,(H,14,16,18)
InChIKeyVEXGOWCVPRGXPV-UHFFFAOYSA-N
XLogP2.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate (CID 67514899) is tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccnc(-n2cccn2)c1.
What is the InChIKey of tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate?
The InChIKey is VEXGOWCVPRGXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(2,3)19-12(18)16-10-5-7-14-11(9-10)17-8-4-6-15-17/h4-9H,1-3H3,(H,14,16,18).
What are the key properties of tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate?
tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate has a molecular weight of 260.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-pyrazol-1-yl-4-pyridinyl)carbamate is sourced from PubChem (CID 67514899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).