N-(1H-indazol-4-yl)-2,2-dimethylpropanamide

C12H15N3O — CID 1482887

IUPACN-(1H-indazol-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C12H15N3O/c1-12(2,3)11(16)14-9-5-4-6-10-8(9)7-13-15-10/h4-7H,1-3H3,(H,13,15)(H,14,16)
InChIKeyVUDQSPZHZOBREG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.55
Rot. Bonds1

About N-(1H-indazol-4-yl)-2,2-dimethylpropanamide

N-(1H-indazol-4-yl)-2,2-dimethylpropanamide (PubChem CID 1482887) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-2,2-dimethylpropanamide
PubChem CID1482887
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(1H-indazol-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C12H15N3O/c1-12(2,3)11(16)14-9-5-4-6-10-8(9)7-13-15-10/h4-7H,1-3H3,(H,13,15)(H,14,16)
InChIKeyVUDQSPZHZOBREG-UHFFFAOYSA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Rhodblock 6
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N-(1H-indazol-5-yl)acetamide
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N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide
CID 25178128
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CID 1481964
N-(1H-indazol-5-yl)-2-phenylacetamide
CID 4412719
N-(1H-indazol-5-yl)cyclohexanecarboxamide
CID 3523119
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CID 22933424
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CID 23570811

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1H-indazol-4-yl)-2,2-dimethylpropanamide (CID 1482887) is N-(1H-indazol-4-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1H-indazol-4-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1H-indazol-4-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of N-(1H-indazol-4-yl)-2,2-dimethylpropanamide?
The InChIKey is VUDQSPZHZOBREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)11(16)14-9-5-4-6-10-8(9)7-13-15-10/h4-7H,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-(1H-indazol-4-yl)-2,2-dimethylpropanamide?
N-(1H-indazol-4-yl)-2,2-dimethylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 1482887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).