tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid

C15H20N4O3 — CID 118140655

IUPACtert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid
SMILESCc1cc(-n2cccc(N(C(=O)O)C(C)(C)C)c2=O)nn1C
InChIInChI=1S/C15H20N4O3/c1-10-9-12(16-17(10)5)18-8-6-7-11(13(18)20)19(14(21)22)15(2,3)4/h6-9H,1-5H3,(H,21,22)
InChIKeyBAICQISQEXUHEU-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.16
Rot. Bonds2

About tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid

tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid (PubChem CID 118140655) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid
PubChem CID118140655
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nametert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid
SMILESCc1cc(-n2cccc(N(C(=O)O)C(C)(C)C)c2=O)nn1C
InChIInChI=1S/C15H20N4O3/c1-10-9-12(16-17(10)5)18-8-6-7-11(13(18)20)19(14(21)22)15(2,3)4/h6-9H,1-5H3,(H,21,22)
InChIKeyBAICQISQEXUHEU-UHFFFAOYSA-N
XLogP2.16
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid?
The IUPAC name of tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid (CID 118140655) is tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid is Cc1cc(-n2cccc(N(C(=O)O)C(C)(C)C)c2=O)nn1C.
What is the InChIKey of tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid?
The InChIKey is BAICQISQEXUHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-9-12(16-17(10)5)18-8-6-7-11(13(18)20)19(14(21)22)15(2,3)4/h6-9H,1-5H3,(H,21,22).
What are the key properties of tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid?
tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid has a molecular weight of 304.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid is sourced from PubChem (CID 118140655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).