2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine

C9H8BrN7 — CID 126484576

IUPAC2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine
SMILESCc1nn(-c2nccnc2N=[N+]=[N-])c(C)c1Br
InChIInChI=1S/C9H8BrN7/c1-5-7(10)6(2)17(15-5)9-8(14-16-11)12-3-4-13-9/h3-4H,1-2H3
InChIKeyRMSBZJDMCCKXBV-UHFFFAOYSA-N
MW294.12 g/mol
LogP2.98
Rot. Bonds2

About 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine

2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine (PubChem CID 126484576) has the molecular formula C9H8BrN7 and a molecular weight of 294.12 g/mol. Its IUPAC name is 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine
PubChem CID126484576
Molecular FormulaC9H8BrN7
Molecular Weight294.12 g/mol
Exact Mass293.00
IUPAC Name2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine
SMILESCc1nn(-c2nccnc2N=[N+]=[N-])c(C)c1Br
InChIInChI=1S/C9H8BrN7/c1-5-7(10)6(2)17(15-5)9-8(14-16-11)12-3-4-13-9/h3-4H,1-2H3
InChIKeyRMSBZJDMCCKXBV-UHFFFAOYSA-N
XLogP2.98
TPSA92.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrazine
CID 43260433
5-bromo-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 16423027
1-[6-(3,5-Dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane
CID 56823381
3-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}pyrazine-2-carbonitrile
CID 129611617
5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 136528533
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrazine
CID 174731373
4-(3,5-Dimethyl-1h-pyrazol-1-yl)-6-methyl-2-(pyrazin-2-yl)pyrimidine
CID 169409428
(3,5-Dimethyl-1-pyrazin-2-ylpyrazol-4-yl) selenocyanate
CID 178250535
4-Bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
CID 55039040
2-(4-Bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
CID 64585092
4-Bromo-3,5-dimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole
CID 72008403
2-[4-(2,2-Difluoroethyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine
CID 72024811

Frequently Asked Questions

What is the IUPAC name of 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine?
The IUPAC name of 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine (CID 126484576) is 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine?
The canonical SMILES for 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine is Cc1nn(-c2nccnc2N=[N+]=[N-])c(C)c1Br.
What is the InChIKey of 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine?
The InChIKey is RMSBZJDMCCKXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN7/c1-5-7(10)6(2)17(15-5)9-8(14-16-11)12-3-4-13-9/h3-4H,1-2H3.
What are the key properties of 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine?
2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine has a molecular weight of 294.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine is sourced from PubChem (CID 126484576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).