N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide

C13H23N3O — CID 113235621

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H23N3O/c1-8(2)9(3)12(17)14-11-7-10(15-16-11)13(4,5)6/h7-9H,1-6H3,(H2,14,15,16,17)
InChIKeyIJZISJLNSCBJOW-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.94
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide (PubChem CID 113235621) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
PubChem CID113235621
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H23N3O/c1-8(2)9(3)12(17)14-11-7-10(15-16-11)13(4,5)6/h7-9H,1-6H3,(H2,14,15,16,17)
InChIKeyIJZISJLNSCBJOW-UHFFFAOYSA-N
XLogP2.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide (CID 113235621) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide is CC(C)C(C)C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide?
The InChIKey is IJZISJLNSCBJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)9(3)12(17)14-11-7-10(15-16-11)13(4,5)6/h7-9H,1-6H3,(H2,14,15,16,17).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide has a molecular weight of 237.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide is sourced from PubChem (CID 113235621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).