N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide

C12H9N7O3 — CID 75436161

IUPACN-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C12H9N7O3/c20-12(11-9(19(21)22)6-15-17-11)16-8-1-2-10(14-5-8)18-4-3-13-7-18/h1-7H,(H,15,17)(H,16,20)
InChIKeyDHEWCTVXVWPZNR-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.15
Rot. Bonds4

About N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide

N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 75436161) has the molecular formula C12H9N7O3 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID75436161
Molecular FormulaC12H9N7O3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C12H9N7O3/c20-12(11-9(19(21)22)6-15-17-11)16-8-1-2-10(14-5-8)18-4-3-13-7-18/h1-7H,(H,15,17)(H,16,20)
InChIKeyDHEWCTVXVWPZNR-UHFFFAOYSA-N
XLogP1.15
TPSA131.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-(6-imidazol-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60965851
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 35438277
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 55581027
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
1-methyl-N-[3-[(4-nitro-1H-pyrazole-5-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19479707
2-chloro-N-(6-imidazol-1-yl-3-pyridinyl)furan-3-carboxamide
CID 106685994
N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 35437680
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
N-(2-chloro-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 903911
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-nitrobenzamide
CID 122300962
N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114098

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide (CID 75436161) is N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(-n2ccnc2)nc1)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is DHEWCTVXVWPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7O3/c20-12(11-9(19(21)22)6-15-17-11)16-8-1-2-10(14-5-8)18-4-3-13-7-18/h1-7H,(H,15,17)(H,16,20).
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide?
N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75436161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).