N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide

C9H5BrClN5O3 — CID 135803518

IUPACN-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1n[nH]c([N+](=O)[O-])c1Cl
InChIInChI=1S/C9H5BrClN5O3/c10-4-1-2-5(12-3-4)13-9(17)7-6(11)8(15-14-7)16(18)19/h1-3H,(H,14,15)(H,12,13,17)
InChIKeyYVWHMARWDVFOQB-UHFFFAOYSA-N
MW346.53 g/mol
LogP2.38
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide

N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide (PubChem CID 135803518) has the molecular formula C9H5BrClN5O3 and a molecular weight of 346.53 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide
PubChem CID135803518
Molecular FormulaC9H5BrClN5O3
Molecular Weight346.53 g/mol
Exact Mass344.93
IUPAC NameN-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1n[nH]c([N+](=O)[O-])c1Cl
InChIInChI=1S/C9H5BrClN5O3/c10-4-1-2-5(12-3-4)13-9(17)7-6(11)8(15-14-7)16(18)19/h1-3H,(H,14,15)(H,12,13,17)
InChIKeyYVWHMARWDVFOQB-UHFFFAOYSA-N
XLogP2.38
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.53
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803711
4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide
CID 135645599
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 844632
4-chloro-N-(2-hydroxy-5-nitrophenyl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803794
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
4-chloro-5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 135803539
4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135567957
4-chloro-5-nitro-N-(4-phenylmethoxyphenyl)-1H-pyrazole-3-carboxamide
CID 135521934
4-chloro-5-nitro-N-(pyridin-1-ium-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 135505052
4-chloro-N-[(4-fluorophenyl)methyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803520
N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
CID 102740957
5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide
CID 10358473

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide (CID 135803518) is N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(Br)cn1)c1n[nH]c([N+](=O)[O-])c1Cl.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is YVWHMARWDVFOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN5O3/c10-4-1-2-5(12-3-4)13-9(17)7-6(11)8(15-14-7)16(18)19/h1-3H,(H,14,15)(H,12,13,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide?
N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 346.53 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135803518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).