3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide

C19H23N5O2 — CID 55885114

IUPAC3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide
SMILESCC(C)c1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)nn1C(C)(C)C
InChIInChI=1S/C19H23N5O2/c1-12(2)15-10-14(23-24(15)19(3,4)5)17(25)13(11-20)18(26)22-16-8-6-7-9-21-16/h6-10,12-13H,1-5H3,(H,21,22,26)
InChIKeyFEGIUUWPDVJINP-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.12
Rot. Bonds5

About 3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide

3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide (PubChem CID 55885114) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide
PubChem CID55885114
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide
SMILESCC(C)c1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)nn1C(C)(C)C
InChIInChI=1S/C19H23N5O2/c1-12(2)15-10-14(23-24(15)19(3,4)5)17(25)13(11-20)18(26)22-16-8-6-7-9-21-16/h6-10,12-13H,1-5H3,(H,21,22,26)
InChIKeyFEGIUUWPDVJINP-UHFFFAOYSA-N
XLogP3.12
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide (CID 55885114) is 3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide is CC(C)c1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)nn1C(C)(C)C.
What is the InChIKey of 3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide?
The InChIKey is FEGIUUWPDVJINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)15-10-14(23-24(15)19(3,4)5)17(25)13(11-20)18(26)22-16-8-6-7-9-21-16/h6-10,12-13H,1-5H3,(H,21,22,26).
What are the key properties of 3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide?
3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide has a molecular weight of 353.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 55885114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).