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

C9H9BrN4O2 — CID 844578

IUPAC4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2c(Br)cnn2C)no1
InChIInChI=1S/C9H9BrN4O2/c1-5-3-7(13-16-5)12-9(15)8-6(10)4-11-14(8)2/h3-4H,1-2H3,(H,12,13,15)
InChIKeyAOORFFMYOVUENB-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.73
Rot. Bonds2

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

4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide (PubChem CID 844578) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide
PubChem CID844578
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2c(Br)cnn2C)no1
InChIInChI=1S/C9H9BrN4O2/c1-5-3-7(13-16-5)12-9(15)8-6(10)4-11-14(8)2/h3-4H,1-2H3,(H,12,13,15)
InChIKeyAOORFFMYOVUENB-UHFFFAOYSA-N
XLogP1.73
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide (CID 844578) is 4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide is Cc1cc(NC(=O)c2c(Br)cnn2C)no1.
What is the InChIKey of 4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
The InChIKey is AOORFFMYOVUENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c1-5-3-7(13-16-5)12-9(15)8-6(10)4-11-14(8)2/h3-4H,1-2H3,(H,12,13,15).
What are the key properties of 4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide?
4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide has a molecular weight of 285.10 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 844578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).