N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide

C13H21N3O — CID 168788136

IUPACN-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1cc(C2CCC2)n[nH]1
InChIInChI=1S/C13H21N3O/c1-13(2,3)12(17)14-8-10-7-11(16-15-10)9-5-4-6-9/h7,9H,4-6,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyNVWXYDFJOKFIDO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.34
Rot. Bonds3

About N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide

N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 168788136) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide
PubChem CID168788136
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1cc(C2CCC2)n[nH]1
InChIInChI=1S/C13H21N3O/c1-13(2,3)12(17)14-8-10-7-11(16-15-10)9-5-4-6-9/h7,9H,4-6,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyNVWXYDFJOKFIDO-UHFFFAOYSA-N
XLogP2.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide (CID 168788136) is N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1cc(C2CCC2)n[nH]1.
What is the InChIKey of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is NVWXYDFJOKFIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)12(17)14-8-10-7-11(16-15-10)9-5-4-6-9/h7,9H,4-6,8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide?
N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 168788136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).