N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide

C10H8BrN5O3 — CID 844632

IUPACN-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cn2)n1
InChIInChI=1S/C10H8BrN5O3/c1-15-5-7(16(18)19)9(14-15)10(17)13-8-3-2-6(11)4-12-8/h2-5H,1H3,(H,12,13,17)
InChIKeyILWHQLJJQQWAGD-UHFFFAOYSA-N
MW326.11 g/mol
LogP1.74
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide (PubChem CID 844632) has the molecular formula C10H8BrN5O3 and a molecular weight of 326.11 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
PubChem CID844632
Molecular FormulaC10H8BrN5O3
Molecular Weight326.11 g/mol
Exact Mass324.98
IUPAC NameN-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cn2)n1
InChIInChI=1S/C10H8BrN5O3/c1-15-5-7(16(18)19)9(14-15)10(17)13-8-3-2-6(11)4-12-8/h2-5H,1H3,(H,12,13,17)
InChIKeyILWHQLJJQQWAGD-UHFFFAOYSA-N
XLogP1.74
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 51.74
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

4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide
CID 3590606
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 60699295
5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide
CID 75513075
1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
CID 536040
N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
CID 102740957
N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
CID 60650974
1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide
CID 844706
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide
CID 135803518
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
1-methyl-4-nitro-N-propan-2-ylpyrazole-3-carboxamide
CID 19263922
N-[3-(4-bromopyrazol-1-yl)propyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 4769951

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide (CID 844632) is N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide is Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cn2)n1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide?
The InChIKey is ILWHQLJJQQWAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5O3/c1-15-5-7(16(18)19)9(14-15)10(17)13-8-3-2-6(11)4-12-8/h2-5H,1H3,(H,12,13,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide has a molecular weight of 326.11 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 844632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).