N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide

C13H17N5O2 — CID 167936946

IUPACN'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide
SMILESCC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CC2)n1
InChIInChI=1S/C13H17N5O2/c1-13(2,3)18-7-8(6-14)10(17-18)16-12(20)11(19)15-9-4-5-9/h7,9H,4-5H2,1-3H3,(H,15,19)(H,16,17,20)
InChIKeyNGNXFVXEEOJZIH-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.73
Rot. Bonds2

About N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide

N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide (PubChem CID 167936946) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide
PubChem CID167936946
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide
SMILESCC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CC2)n1
InChIInChI=1S/C13H17N5O2/c1-13(2,3)18-7-8(6-14)10(17-18)16-12(20)11(19)15-9-4-5-9/h7,9H,4-5H2,1-3H3,(H,15,19)(H,16,17,20)
InChIKeyNGNXFVXEEOJZIH-UHFFFAOYSA-N
XLogP0.73
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide?
The IUPAC name of N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide (CID 167936946) is N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide.
What is the SMILES notation for N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide?
The canonical SMILES for N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide is CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CC2)n1.
What is the InChIKey of N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide?
The InChIKey is NGNXFVXEEOJZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(2,3)18-7-8(6-14)10(17-18)16-12(20)11(19)15-9-4-5-9/h7,9H,4-5H2,1-3H3,(H,15,19)(H,16,17,20).
What are the key properties of N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide?
N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide has a molecular weight of 275.31 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-tert-butyl-4-cyanopyrazol-3-yl)-N-cyclopropyloxamide is sourced from PubChem (CID 167936946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).