N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide

C14H17N5O3 — CID 119475210

IUPACN-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide
SMILESNC1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C14H17N5O3/c15-8-1-3-9(4-2-8)16-14(20)13-11-7-10(19(21)22)5-6-12(11)17-18-13/h5-9H,1-4,15H2,(H,16,20)(H,17,18)
InChIKeyXQICUVUYDGAJFA-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.47
Rot. Bonds3

About N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide

N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide (PubChem CID 119475210) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide
PubChem CID119475210
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide
SMILESNC1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C14H17N5O3/c15-8-1-3-9(4-2-8)16-14(20)13-11-7-10(19(21)22)5-6-12(11)17-18-13/h5-9H,1-4,15H2,(H,16,20)(H,17,18)
InChIKeyXQICUVUYDGAJFA-UHFFFAOYSA-N
XLogP1.47
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide (CID 119475210) is N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide is NC1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide?
The InChIKey is XQICUVUYDGAJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c15-8-1-3-9(4-2-8)16-14(20)13-11-7-10(19(21)22)5-6-12(11)17-18-13/h5-9H,1-4,15H2,(H,16,20)(H,17,18).
What are the key properties of N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide?
N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide is sourced from PubChem (CID 119475210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).