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

C9H9BrN4O2 — CID 19507770

IUPAC4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1noc(C)c1NC(=O)c1[nH]ncc1Br
InChIInChI=1S/C9H9BrN4O2/c1-4-7(5(2)16-14-4)12-9(15)8-6(10)3-11-13-8/h3H,1-2H3,(H,11,13)(H,12,15)
InChIKeyGGDSSEZKTQZVCL-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.03
Rot. Bonds2

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

4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 19507770) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID19507770
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1noc(C)c1NC(=O)c1[nH]ncc1Br
InChIInChI=1S/C9H9BrN4O2/c1-4-7(5(2)16-14-4)12-9(15)8-6(10)3-11-13-8/h3H,1-2H3,(H,11,13)(H,12,15)
InChIKeyGGDSSEZKTQZVCL-UHFFFAOYSA-N
XLogP2.03
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19479748
4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19475234
4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56782601
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethoxybenzamide
CID 51098103
4-bromo-N-hexyl-1H-pyrazole-5-carboxamide
CID 19511210
4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 19511285
2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 56788300
1-[(4-bromopyrazol-1-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 19271925
4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406043
3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide
CID 71934822
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 19274630
4-bromo-N-(4-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 19511190

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide (CID 19507770) is 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1noc(C)c1NC(=O)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is GGDSSEZKTQZVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c1-4-7(5(2)16-14-4)12-9(15)8-6(10)3-11-13-8/h3H,1-2H3,(H,11,13)(H,12,15).
What are the key properties of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide?
4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 285.10 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19507770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).