N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide

C13H17N3O — CID 110470760

IUPACN-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-13(2,3)12(17)14-7-9-4-5-10-8-15-16-11(10)6-9/h4-6,8H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyVLQAYCVUCHTBRQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.23
Rot. Bonds2

About N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide

N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide (PubChem CID 110470760) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
PubChem CID110470760
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-13(2,3)12(17)14-7-9-4-5-10-8-15-16-11(10)6-9/h4-6,8H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyVLQAYCVUCHTBRQ-UHFFFAOYSA-N
XLogP2.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide (CID 110470760) is N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide?
The InChIKey is VLQAYCVUCHTBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,3)12(17)14-7-9-4-5-10-8-15-16-11(10)6-9/h4-6,8H,7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide?
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 110470760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).