N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine

C16H12N6O2 — CID 167789198

IUPACN-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine
SMILESO=[N+]([O-])c1cnn(-c2ccccc2)c1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H12N6O2/c23-22(24)15-10-18-21(13-4-2-1-3-5-13)16(15)19-12-6-7-14-11(8-12)9-17-20-14/h1-10,19H,(H,17,20)
InChIKeyLFUKOWJHLVYFTI-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.40
Rot. Bonds4

About N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine

N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine (PubChem CID 167789198) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine
PubChem CID167789198
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC NameN-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine
SMILESO=[N+]([O-])c1cnn(-c2ccccc2)c1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H12N6O2/c23-22(24)15-10-18-21(13-4-2-1-3-5-13)16(15)19-12-6-7-14-11(8-12)9-17-20-14/h1-10,19H,(H,17,20)
InChIKeyLFUKOWJHLVYFTI-UHFFFAOYSA-N
XLogP3.40
TPSA101.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
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

N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
CID 39832274
N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
CID 166232105
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine
CID 40709731
N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine
CID 133425970
N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine
CID 67995863
5-chloro-4-nitro-1-phenylpyrazole
CID 105481380
2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine
CID 67995775
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
CID 23366750
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide
CID 70645024
5-nitro-6-pyrazol-1-yl-1H-indazole
CID 164801978

Frequently Asked Questions

What is the IUPAC name of N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine?
The IUPAC name of N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine (CID 167789198) is N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine.
What is the SMILES notation for N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine?
The canonical SMILES for N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine is O=[N+]([O-])c1cnn(-c2ccccc2)c1Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine?
The InChIKey is LFUKOWJHLVYFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c23-22(24)15-10-18-21(13-4-2-1-3-5-13)16(15)19-12-6-7-14-11(8-12)9-17-20-14/h1-10,19H,(H,17,20).
What are the key properties of N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine?
N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine has a molecular weight of 320.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine is sourced from PubChem (CID 167789198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).