3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine

C13H9BrClN5O2 — CID 171482955

IUPAC3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1-c1nn2c(Cl)cnc(N)c2c1Br
InChIInChI=1S/C13H9BrClN5O2/c1-6-4-7(20(21)22)2-3-8(6)11-10(14)12-13(16)17-5-9(15)19(12)18-11/h2-5H,1H3,(H2,16,17)
InChIKeyOYQJKLQVRMJCPG-UHFFFAOYSA-N
MW382.61 g/mol
LogP3.61
Rot. Bonds2

About 3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine

3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 171482955) has the molecular formula C13H9BrClN5O2 and a molecular weight of 382.61 g/mol. Its IUPAC name is 3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID171482955
Molecular FormulaC13H9BrClN5O2
Molecular Weight382.61 g/mol
Exact Mass380.96
IUPAC Name3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1-c1nn2c(Cl)cnc(N)c2c1Br
InChIInChI=1S/C13H9BrClN5O2/c1-6-4-7(20(21)22)2-3-8(6)11-10(14)12-13(16)17-5-9(15)19(12)18-11/h2-5H,1H3,(H2,16,17)
InChIKeyOYQJKLQVRMJCPG-UHFFFAOYSA-N
XLogP3.61
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.61
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
CID 66304278
1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
CID 23565474
4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole
CID 115395412
1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102942629
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methyl-5-nitropyridine
CID 62475881
4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine
CID 157037280
2-(2-methyl-4-nitrophenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499173
3-(2-bromo-4-nitrophenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 175749239
(4-bromo-3,5-dimethylpyrazol-1-yl)-(2-chloro-5-nitrophenyl)methanone
CID 603525
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-nitroaniline
CID 55080397

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 171482955) is 3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc([N+](=O)[O-])ccc1-c1nn2c(Cl)cnc(N)c2c1Br.
What is the InChIKey of 3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is OYQJKLQVRMJCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN5O2/c1-6-4-7(20(21)22)2-3-8(6)11-10(14)12-13(16)17-5-9(15)19(12)18-11/h2-5H,1H3,(H2,16,17).
What are the key properties of 3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine?
3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 382.61 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-2-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 171482955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).