N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole

C18H33N3O — CID 144866153

IUPACN-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole
SMILESCC.CC(=O)N(C)C1CC2CC2C1.Cc1ccn(C(C)C)n1
InChIInChI=1S/C9H15NO.C7H12N2.C2H6/c1-6(11)10(2)9-4-7-3-8(7)5-9;1-6(2)9-5-4-7(3)8-9;1-2/h7-9H,3-5H2,1-2H3;4-6H,1-3H3;1-2H3
InChIKeyDRMYYTWCEZHYIZ-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.06
Rot. Bonds2

About N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole

N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole (PubChem CID 144866153) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole
PubChem CID144866153
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole
SMILESCC.CC(=O)N(C)C1CC2CC2C1.Cc1ccn(C(C)C)n1
InChIInChI=1S/C9H15NO.C7H12N2.C2H6/c1-6(11)10(2)9-4-7-3-8(7)5-9;1-6(2)9-5-4-7(3)8-9;1-2/h7-9H,3-5H2,1-2H3;4-6H,1-3H3;1-2H3
InChIKeyDRMYYTWCEZHYIZ-UHFFFAOYSA-N
XLogP4.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole (CID 144866153) is N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole is CC.CC(=O)N(C)C1CC2CC2C1.Cc1ccn(C(C)C)n1.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole?
The InChIKey is DRMYYTWCEZHYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C7H12N2.C2H6/c1-6(11)10(2)9-4-7-3-8(7)5-9;1-6(2)9-5-4-7(3)8-9;1-2/h7-9H,3-5H2,1-2H3;4-6H,1-3H3;1-2H3.
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole?
N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole has a molecular weight of 307.48 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 144866153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).