3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide

C15H27N3O — CID 112686564

IUPAC3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide
SMILESCC(CC(=O)Nc1cc(C(C)C)[nH]n1)CC(C)(C)C
InChIInChI=1S/C15H27N3O/c1-10(2)12-8-13(18-17-12)16-14(19)7-11(3)9-15(4,5)6/h8,10-11H,7,9H2,1-6H3,(H2,16,17,18,19)
InChIKeyIYALYDQFYLLDFW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.93
Rot. Bonds5

About 3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide

3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide (PubChem CID 112686564) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide
PubChem CID112686564
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide
SMILESCC(CC(=O)Nc1cc(C(C)C)[nH]n1)CC(C)(C)C
InChIInChI=1S/C15H27N3O/c1-10(2)12-8-13(18-17-12)16-14(19)7-11(3)9-15(4,5)6/h8,10-11H,7,9H2,1-6H3,(H2,16,17,18,19)
InChIKeyIYALYDQFYLLDFW-UHFFFAOYSA-N
XLogP3.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide
CID 60974660
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618403
4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618390
4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 113245549
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 115976338
6-oxo-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 112639598
2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 103710671
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide
CID 60969558

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide?
The IUPAC name of 3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide (CID 112686564) is 3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide?
The canonical SMILES for 3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide is CC(CC(=O)Nc1cc(C(C)C)[nH]n1)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide?
The InChIKey is IYALYDQFYLLDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)12-8-13(18-17-12)16-14(19)7-11(3)9-15(4,5)6/h8,10-11H,7,9H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide?
3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide has a molecular weight of 265.40 g/mol, XLogP of 3.93, 5 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-propan-2-yl-1H-pyrazol-3-yl)hexanamide is sourced from PubChem (CID 112686564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).