N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C8H10IN3O — CID 170232622

IUPACN-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NI)c1n[nH]c2c1CCCC2
InChIInChI=1S/C8H10IN3O/c9-10-8(13)7-5-3-1-2-4-6(5)11-12-7/h1-4H2,(H,10,13)(H,11,12)
InChIKeyYPRZHKNKBIMOHG-UHFFFAOYSA-N
MW291.09 g/mol
LogP1.37
Rot. Bonds1

About N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 170232622) has the molecular formula C8H10IN3O and a molecular weight of 291.09 g/mol. Its IUPAC name is N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID170232622
Molecular FormulaC8H10IN3O
Molecular Weight291.09 g/mol
Exact Mass290.99
IUPAC NameN-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NI)c1n[nH]c2c1CCCC2
InChIInChI=1S/C8H10IN3O/c9-10-8(13)7-5-3-1-2-4-6(5)11-12-7/h1-4H2,(H,10,13)(H,11,12)
InChIKeyYPRZHKNKBIMOHG-UHFFFAOYSA-N
XLogP1.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-iodo-4,5,6,7-tetrahydro-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-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 166414899
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111483509
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-[(2S)-butan-2-yl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 97046545
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 94913783
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53017368
N-(2-propan-2-yloxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110610403
2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid
CID 75497786

Frequently Asked Questions

What is the IUPAC name of N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 170232622) is N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NI)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is YPRZHKNKBIMOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O/c9-10-8(13)7-5-3-1-2-4-6(5)11-12-7/h1-4H2,(H,10,13)(H,11,12).
What are the key properties of N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 291.09 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 170232622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).