2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C15H26N4O2 — CID 107408192

IUPAC2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN1CCCC(C)(O)CC1
InChIInChI=1S/C15H26N4O2/c1-12(2)19-13(5-8-16-19)17-14(20)11-18-9-4-6-15(3,21)7-10-18/h5,8,12,21H,4,6-7,9-11H2,1-3H3,(H,17,20)
InChIKeyIRGGPEGNZJVLTA-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.64
Rot. Bonds4

About 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 107408192) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID107408192
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN1CCCC(C)(O)CC1
InChIInChI=1S/C15H26N4O2/c1-12(2)19-13(5-8-16-19)17-14(20)11-18-9-4-6-15(3,21)7-10-18/h5,8,12,21H,4,6-7,9-11H2,1-3H3,(H,17,20)
InChIKeyIRGGPEGNZJVLTA-UHFFFAOYSA-N
XLogP1.64
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 107408192) is 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)CN1CCCC(C)(O)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is IRGGPEGNZJVLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(2)19-13(5-8-16-19)17-14(20)11-18-9-4-6-15(3,21)7-10-18/h5,8,12,21H,4,6-7,9-11H2,1-3H3,(H,17,20).
What are the key properties of 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 107408192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).