4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide

C10H11BrN4O2 — CID 1236034

IUPAC4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1cc(C)on1
InChIInChI=1S/C10H11BrN4O2/c1-3-15-9(7(11)5-12-15)10(16)13-8-4-6(2)17-14-8/h4-5H,3H2,1-2H3,(H,13,14,16)
InChIKeyDJVNBRFACKGSCP-UHFFFAOYSA-N
MW299.13 g/mol
LogP2.21
Rot. Bonds3

About 4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide

4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide (PubChem CID 1236034) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide
PubChem CID1236034
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1cc(C)on1
InChIInChI=1S/C10H11BrN4O2/c1-3-15-9(7(11)5-12-15)10(16)13-8-4-6(2)17-14-8/h4-5H,3H2,1-2H3,(H,13,14,16)
InChIKeyDJVNBRFACKGSCP-UHFFFAOYSA-N
XLogP2.21
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide (CID 1236034) is 4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1cc(C)on1.
What is the InChIKey of 4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
The InChIKey is DJVNBRFACKGSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-3-15-9(7(11)5-12-15)10(16)13-8-4-6(2)17-14-8/h4-5H,3H2,1-2H3,(H,13,14,16).
What are the key properties of 4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 1236034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).