N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide

C16H13FN4O3 — CID 35413572

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)ccc1F
InChIInChI=1S/C16H13FN4O3/c1-9-6-10(2-4-13(9)17)8-18-16(22)15-12-7-11(21(23)24)3-5-14(12)19-20-15/h2-7H,8H2,1H3,(H,18,22)(H,19,20)
InChIKeyZBDHOMXCKICTEU-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.85
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide (PubChem CID 35413572) has the molecular formula C16H13FN4O3 and a molecular weight of 328.30 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide
PubChem CID35413572
Molecular FormulaC16H13FN4O3
Molecular Weight328.30 g/mol
Exact Mass328.10
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)ccc1F
InChIInChI=1S/C16H13FN4O3/c1-9-6-10(2-4-13(9)17)8-18-16(22)15-12-7-11(21(23)24)3-5-14(12)19-20-15/h2-7H,8H2,1H3,(H,18,22)(H,19,20)
InChIKeyZBDHOMXCKICTEU-UHFFFAOYSA-N
XLogP2.85
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 37017710
N-(3-hydroxybutyl)-5-nitro-1H-indazole-3-carboxamide
CID 111429041
N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 78856338
N-(3-aminobutyl)-5-nitro-1H-indazole-3-carboxamide
CID 119495670
N-[(4-fluorophenyl)methyl]-1-(5-nitro-1H-indazole-3-carbonyl)piperidine-4-carboxamide
CID 78902097
N-(4-hydroxy-2,2-dimethylpentyl)-5-nitro-1H-indazole-3-carboxamide
CID 111480035
N-[2-[(S)-tert-butylsulfinyl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 95767268
5-nitro-N-[(2S)-2-phenylpropyl]-1H-indazole-3-carboxamide
CID 35411829
N-[2-[(R)-tert-butylsulfinyl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 95767269
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60704987
5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 119510662
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111853517

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide (CID 35413572) is N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide is Cc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide?
The InChIKey is ZBDHOMXCKICTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3/c1-9-6-10(2-4-13(9)17)8-18-16(22)15-12-7-11(21(23)24)3-5-14(12)19-20-15/h2-7H,8H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide has a molecular weight of 328.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide is sourced from PubChem (CID 35413572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).