4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide

C10H11BrN4O2 — CID 19475234

IUPAC4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1noc(C)c1NC(=O)c1c(Br)cnn1C
InChIInChI=1S/C10H11BrN4O2/c1-5-8(6(2)17-14-5)13-10(16)9-7(11)4-12-15(9)3/h4H,1-3H3,(H,13,16)
InChIKeyXQEIMCWUNSXCSP-UHFFFAOYSA-N
MW299.13 g/mol
LogP2.04
Rot. Bonds2

About 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide

4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 19475234) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide
PubChem CID19475234
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1noc(C)c1NC(=O)c1c(Br)cnn1C
InChIInChI=1S/C10H11BrN4O2/c1-5-8(6(2)17-14-5)13-10(16)9-7(11)4-12-15(9)3/h4H,1-3H3,(H,13,16)
InChIKeyXQEIMCWUNSXCSP-UHFFFAOYSA-N
XLogP2.04
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide (CID 19475234) is 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide is Cc1noc(C)c1NC(=O)c1c(Br)cnn1C.
What is the InChIKey of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is XQEIMCWUNSXCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-5-8(6(2)17-14-5)13-10(16)9-7(11)4-12-15(9)3/h4H,1-3H3,(H,13,16).
What are the key properties of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide?
4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19475234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).