N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C11H15N5O2 — CID 104619986

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2c[nH]c(=O)[nH]2)n[nH]1
InChIInChI=1S/C11H15N5O2/c1-11(2,3)7-4-8(16-15-7)14-9(17)6-5-12-10(18)13-6/h4-5H,1-3H3,(H2,12,13,18)(H2,14,15,16,17)
InChIKeyLKRRJOZYYWWTCJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.98
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 104619986) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID104619986
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2c[nH]c(=O)[nH]2)n[nH]1
InChIInChI=1S/C11H15N5O2/c1-11(2,3)7-4-8(16-15-7)14-9(17)6-5-12-10(18)13-6/h4-5H,1-3H3,(H2,12,13,18)(H2,14,15,16,17)
InChIKeyLKRRJOZYYWWTCJ-UHFFFAOYSA-N
XLogP0.98
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 104619986) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is CC(C)(C)c1cc(NC(=O)c2c[nH]c(=O)[nH]2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is LKRRJOZYYWWTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-11(2,3)7-4-8(16-15-7)14-9(17)6-5-12-10(18)13-6/h4-5H,1-3H3,(H2,12,13,18)(H2,14,15,16,17).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 104619986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).