1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide

C17H26N4O2 — CID 128636279

IUPAC1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide
SMILESCCc1cc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)n(C)n1
InChIInChI=1S/C17H26N4O2/c1-3-14-9-15(20(2)19-14)18-16(22)13-10-21(11-13)17(23)12-7-5-4-6-8-12/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,22)
InChIKeyGEFOENYBAKXDAS-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.96
Rot. Bonds4

About 1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide

1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide (PubChem CID 128636279) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide
PubChem CID128636279
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide
SMILESCCc1cc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)n(C)n1
InChIInChI=1S/C17H26N4O2/c1-3-14-9-15(20(2)19-14)18-16(22)13-10-21(11-13)17(23)12-7-5-4-6-8-12/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,22)
InChIKeyGEFOENYBAKXDAS-UHFFFAOYSA-N
XLogP1.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazol-5-yl)-3-methylbutanamide
CID 136253212
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 49217836
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
N-(3-cyclopropyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclohexanecarboxamide
CID 135892055
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methyl-1-(3-phenylpropanoyl)azetidine-2-carboxamide
CID 49790994
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
CID 134796011
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
CID 134796439
N-(3-cyclopentyl-1-methylpyrazol-5-yl)cyclopropanecarboxamide
CID 134796660
N-(3-cyclopentyl-1-methylpyrazol-5-yl)butanamide
CID 134796718
N-(3-cyclopropyl-1-methylpyrazol-5-yl)cyclopentanecarboxamide
CID 134797143
N-(3-cyclopentyl-1-methylpyrazol-5-yl)acetamide
CID 134797604
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 134798623

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide (CID 128636279) is 1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide is CCc1cc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)n(C)n1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide?
The InChIKey is GEFOENYBAKXDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-14-9-15(20(2)19-14)18-16(22)13-10-21(11-13)17(23)12-7-5-4-6-8-12/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,22).
What are the key properties of 1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide?
1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide is sourced from PubChem (CID 128636279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).