N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide

C15H18N4O3 — CID 35375238

IUPACN-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H18N4O3/c20-15(16-10-5-3-1-2-4-6-10)14-12-9-11(19(21)22)7-8-13(12)17-18-14/h7-10H,1-6H2,(H,16,20)(H,17,18)
InChIKeyZUJIITQRGHNNAG-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.92
Rot. Bonds3

About N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide

N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide (PubChem CID 35375238) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
PubChem CID35375238
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H18N4O3/c20-15(16-10-5-3-1-2-4-6-10)14-12-9-11(19(21)22)7-8-13(12)17-18-14/h7-10H,1-6H2,(H,16,20)(H,17,18)
InChIKeyZUJIITQRGHNNAG-UHFFFAOYSA-N
XLogP2.92
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.92
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'}

Analyze N-cycloheptyl-5-nitro-1H-indazole-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

N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide
CID 119475210
5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 119510662
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-5-nitro-1H-indazole-3-carboxamide
CID 86966221
N-[(1S,2S,3R,4S)-3-carbamoyl-2-bicyclo[2.2.1]heptanyl]-5-nitro-1H-indazole-3-carboxamide
CID 100852100
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 86946002
N-(3-hydroxybutyl)-5-nitro-1H-indazole-3-carboxamide
CID 111429041
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 160652856
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-cyclododecyl-4-nitrobenzamide
CID 19168070
(2R)-3-methyl-2-[(5-nitro-1H-indazole-3-carbonyl)amino]butanoic acid
CID 119368722
N-[2-[(S)-tert-butylsulfinyl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 95767268

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide (CID 35375238) is N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide is O=C(NC1CCCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide?
The InChIKey is ZUJIITQRGHNNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-15(16-10-5-3-1-2-4-6-10)14-12-9-11(19(21)22)7-8-13(12)17-18-14/h7-10H,1-6H2,(H,16,20)(H,17,18).
What are the key properties of N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide?
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide is sourced from PubChem (CID 35375238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).