N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide

C10H10BrN7O4 — CID 3136987

IUPACN'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide
SMILESCn1cc(Br)c(C(=O)NNC(=O)c2nn(C)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H10BrN7O4/c1-16-3-5(11)7(14-16)9(19)12-13-10(20)8-6(18(21)22)4-17(2)15-8/h3-4H,1-2H3,(H,12,19)(H,13,20)
InChIKeyAJKHDVWINJJNIS-UHFFFAOYSA-N
MW372.14 g/mol
LogP-0.10
Rot. Bonds3

About N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide

N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide (PubChem CID 3136987) has the molecular formula C10H10BrN7O4 and a molecular weight of 372.14 g/mol. Its IUPAC name is N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide
PubChem CID3136987
Molecular FormulaC10H10BrN7O4
Molecular Weight372.14 g/mol
Exact Mass371.00
IUPAC NameN'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide
SMILESCn1cc(Br)c(C(=O)NNC(=O)c2nn(C)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H10BrN7O4/c1-16-3-5(11)7(14-16)9(19)12-13-10(20)8-6(18(21)22)4-17(2)15-8/h3-4H,1-2H3,(H,12,19)(H,13,20)
InChIKeyAJKHDVWINJJNIS-UHFFFAOYSA-N
XLogP-0.10
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide?
The IUPAC name of N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide (CID 3136987) is N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide is Cn1cc(Br)c(C(=O)NNC(=O)c2nn(C)cc2[N+](=O)[O-])n1.
What is the InChIKey of N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide?
The InChIKey is AJKHDVWINJJNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN7O4/c1-16-3-5(11)7(14-16)9(19)12-13-10(20)8-6(18(21)22)4-17(2)15-8/h3-4H,1-2H3,(H,12,19)(H,13,20).
What are the key properties of N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide?
N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide has a molecular weight of 372.14 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide is sourced from PubChem (CID 3136987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).