N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide

C17H27N3O — CID 123558346

IUPACN-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide
SMILESCCc1cc(C2C3CC(N(C)C(C)=O)CC32)n(C(C)C)n1
InChIInChI=1S/C17H27N3O/c1-6-12-7-16(20(18-12)10(2)3)17-14-8-13(9-15(14)17)19(5)11(4)21/h7,10,13-15,17H,6,8-9H2,1-5H3
InChIKeyPGEIQWMOXIKBMK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.00
Rot. Bonds4

About N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide

N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide (PubChem CID 123558346) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide
PubChem CID123558346
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide
SMILESCCc1cc(C2C3CC(N(C)C(C)=O)CC32)n(C(C)C)n1
InChIInChI=1S/C17H27N3O/c1-6-12-7-16(20(18-12)10(2)3)17-14-8-13(9-15(14)17)19(5)11(4)21/h7,10,13-15,17H,6,8-9H2,1-5H3
InChIKeyPGEIQWMOXIKBMK-UHFFFAOYSA-N
XLogP3.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide?
The IUPAC name of N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide (CID 123558346) is N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide.
What is the SMILES notation for N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide?
The canonical SMILES for N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide is CCc1cc(C2C3CC(N(C)C(C)=O)CC32)n(C(C)C)n1.
What is the InChIKey of N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide?
The InChIKey is PGEIQWMOXIKBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-12-7-16(20(18-12)10(2)3)17-14-8-13(9-15(14)17)19(5)11(4)21/h7,10,13-15,17H,6,8-9H2,1-5H3.
What are the key properties of N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide?
N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide has a molecular weight of 289.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide is sourced from PubChem (CID 123558346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).