N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

C13H17N5O3 — CID 115610334

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)n[nH]1
InChIInChI=1S/C13H17N5O3/c1-13(2,3)8-6-9(17-16-8)14-11(20)7-18-5-4-10(19)15-12(18)21/h4-6H,7H2,1-3H3,(H,15,19,21)(H2,14,16,17,20)
InChIKeyKJZSKLPFLGJZON-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.20
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 115610334) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID115610334
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)n[nH]1
InChIInChI=1S/C13H17N5O3/c1-13(2,3)8-6-9(17-16-8)14-11(20)7-18-5-4-10(19)15-12(18)21/h4-6H,7H2,1-3H3,(H,15,19,21)(H2,14,16,17,20)
InChIKeyKJZSKLPFLGJZON-UHFFFAOYSA-N
XLogP0.20
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 115610334) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is KJZSKLPFLGJZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-13(2,3)8-6-9(17-16-8)14-11(20)7-18-5-4-10(19)15-12(18)21/h4-6H,7H2,1-3H3,(H,15,19,21)(H2,14,16,17,20).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 115610334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).