3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide

C12H21N3O — CID 43540485

IUPAC3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide
SMILESCC(CC(=O)Nc1cn[nH]c1)CC(C)(C)C
InChIInChI=1S/C12H21N3O/c1-9(6-12(2,3)4)5-11(16)15-10-7-13-14-8-10/h7-9H,5-6H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyUNLWJXOOYZLAPX-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.81
Rot. Bonds4

About 3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide

3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide (PubChem CID 43540485) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide
PubChem CID43540485
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide
SMILESCC(CC(=O)Nc1cn[nH]c1)CC(C)(C)C
InChIInChI=1S/C12H21N3O/c1-9(6-12(2,3)4)5-11(16)15-10-7-13-14-8-10/h7-9H,5-6H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyUNLWJXOOYZLAPX-UHFFFAOYSA-N
XLogP2.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide
CID 63822309
3-oxo-N-(1H-pyrazol-4-yl)butanamide
CID 43540271
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
2-[4-(3,5,5-trimethylhexanoylamino)pyrazol-1-yl]acetic acid
CID 61018088
2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid
CID 107338804
3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide
CID 60974660
5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide
CID 56825627
3-chloro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 63680356
(2R)-2-amino-4-methyl-N-(1H-pyrazol-4-yl)pentanamide
CID 83618000
3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide
CID 112686564
2-amino-N-(1H-pyrazol-4-yl)propanamide
CID 43540259
N-(4-bromo-3-methylphenyl)-3,5,5-trimethylhexanamide
CID 43321101

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide?
The IUPAC name of 3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide (CID 43540485) is 3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide?
The canonical SMILES for 3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide is CC(CC(=O)Nc1cn[nH]c1)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide?
The InChIKey is UNLWJXOOYZLAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(6-12(2,3)4)5-11(16)15-10-7-13-14-8-10/h7-9H,5-6H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide?
3,5,5-trimethyl-N-(1H-pyrazol-4-yl)hexanamide has a molecular weight of 223.32 g/mol, XLogP of 2.81, 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-(1H-pyrazol-4-yl)hexanamide is sourced from PubChem (CID 43540485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).