2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide

C12H11Cl2N3O — CID 17164574

IUPAC2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc3[nH]ncc3c2)CC1(Cl)Cl
InChIInChI=1S/C12H11Cl2N3O/c1-11(6-12(11,13)14)10(18)16-8-2-3-9-7(4-8)5-15-17-9/h2-5H,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyVSLGXKGNDRRODB-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.09
Rot. Bonds2

About 2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide (PubChem CID 17164574) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide
PubChem CID17164574
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc3[nH]ncc3c2)CC1(Cl)Cl
InChIInChI=1S/C12H11Cl2N3O/c1-11(6-12(11,13)14)10(18)16-8-2-3-9-7(4-8)5-15-17-9/h2-5H,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyVSLGXKGNDRRODB-UHFFFAOYSA-N
XLogP3.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-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

(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 95018921
2-amino-N-(1H-indazol-5-yl)-1-methylcyclopentane-1-carboxamide
CID 82765921
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835019
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446
2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
CID 42910477
2-(4-hydroxyphenyl)-N-(1H-indazol-5-yl)acetamide
CID 23570801
2-bromo-N-(1H-indazol-5-yl)-3-methylbutanamide
CID 43698098
2-(1-aminocyclobutyl)-N-(1H-indazol-5-yl)acetamide
CID 79851440

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide (CID 17164574) is 2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2ccc3[nH]ncc3c2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is VSLGXKGNDRRODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-11(6-12(11,13)14)10(18)16-8-2-3-9-7(4-8)5-15-17-9/h2-5H,6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 17164574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).