N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide

C12H11BrN6O2 — CID 19590800

IUPACN-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3[nH]ncc3Br)on2)cnn1C
InChIInChI=1S/C12H11BrN6O2/c1-6-7(4-15-19(6)2)9-3-10(21-18-9)12(20)16-11-8(13)5-14-17-11/h3-5H,1-2H3,(H2,14,16,17,20)
InChIKeyZHHQJSLLPKJZNJ-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.12
Rot. Bonds3

About N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide

N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide (PubChem CID 19590800) has the molecular formula C12H11BrN6O2 and a molecular weight of 351.16 g/mol. Its IUPAC name is N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
PubChem CID19590800
Molecular FormulaC12H11BrN6O2
Molecular Weight351.16 g/mol
Exact Mass350.01
IUPAC NameN-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3[nH]ncc3Br)on2)cnn1C
InChIInChI=1S/C12H11BrN6O2/c1-6-7(4-15-19(6)2)9-3-10(21-18-9)12(20)16-11-8(13)5-14-17-11/h3-5H,1-2H3,(H2,14,16,17,20)
InChIKeyZHHQJSLLPKJZNJ-UHFFFAOYSA-N
XLogP2.12
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide (CID 19590800) is N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide is Cc1c(-c2cc(C(=O)Nc3[nH]ncc3Br)on2)cnn1C.
What is the InChIKey of N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is ZHHQJSLLPKJZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6O2/c1-6-7(4-15-19(6)2)9-3-10(21-18-9)12(20)16-11-8(13)5-14-17-11/h3-5H,1-2H3,(H2,14,16,17,20).
What are the key properties of N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 351.16 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19590800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).