3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide

C13H23N3O — CID 60974660

IUPAC3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide
SMILESCc1cc(NC(=O)CC(C)CC(C)(C)C)n[nH]1
InChIInChI=1S/C13H23N3O/c1-9(8-13(3,4)5)6-12(17)14-11-7-10(2)15-16-11/h7,9H,6,8H2,1-5H3,(H2,14,15,16,17)
InChIKeyFILYPVFHVPTCEA-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.12
Rot. Bonds4

About 3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide

3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide (PubChem CID 60974660) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide
PubChem CID60974660
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide
SMILESCc1cc(NC(=O)CC(C)CC(C)(C)C)n[nH]1
InChIInChI=1S/C13H23N3O/c1-9(8-13(3,4)5)6-12(17)14-11-7-10(2)15-16-11/h7,9H,6,8H2,1-5H3,(H2,14,15,16,17)
InChIKeyFILYPVFHVPTCEA-UHFFFAOYSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide
CID 112686564
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
CID 114875544
3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 64678472
4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 103155915
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 117099978
N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 83171017
N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide
CID 60969558
3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide
CID 43540485
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 82668146
2-ethyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 63820066

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide?
The IUPAC name of 3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide (CID 60974660) is 3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide?
The canonical SMILES for 3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide is Cc1cc(NC(=O)CC(C)CC(C)(C)C)n[nH]1.
What is the InChIKey of 3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide?
The InChIKey is FILYPVFHVPTCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(8-13(3,4)5)6-12(17)14-11-7-10(2)15-16-11/h7,9H,6,8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide?
3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide has a molecular weight of 237.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide is sourced from PubChem (CID 60974660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).