2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C12H17N3O2 — CID 133264711

IUPAC2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCc1cnn(CC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1
InChIInChI=1S/C12H17N3O2/c1-8-5-13-15(6-8)7-12(16)14-10-4-11-9(10)2-3-17-11/h5-6,9-11H,2-4,7H2,1H3,(H,14,16)/t9-,10+,11+/m0/s1
InChIKeyAYRZTFIQQWMVSE-HBNTYKKESA-N
MW235.29 g/mol
LogP0.49
Rot. Bonds3

About 2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 133264711) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID133264711
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCc1cnn(CC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1
InChIInChI=1S/C12H17N3O2/c1-8-5-13-15(6-8)7-12(16)14-10-4-11-9(10)2-3-17-11/h5-6,9-11H,2-4,7H2,1H3,(H,14,16)/t9-,10+,11+/m0/s1
InChIKeyAYRZTFIQQWMVSE-HBNTYKKESA-N
XLogP0.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide with MolForge

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Related Compounds

2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide
CID 156608498
2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133267562
2-(4-aminopyrazol-1-yl)-N-(2-methyloxolan-3-yl)acetamide
CID 82725311
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133266609
2-(4-methyl-N-methylsulfonylanilino)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133266803
2-(4-methylpyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 146126134
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526458
2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 133268115
N-butyl-2-(4-methylpyrazol-1-yl)acetamide
CID 19526650
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95626542

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 133264711) is 2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is Cc1cnn(CC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is AYRZTFIQQWMVSE-HBNTYKKESA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-5-13-15(6-8)7-12(16)14-10-4-11-9(10)2-3-17-11/h5-6,9-11H,2-4,7H2,1H3,(H,14,16)/t9-,10+,11+/m0/s1.
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 133264711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).