ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

C12H21N3O — CID 90776498

IUPACethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESCC.CC(=O)N(C)c1c2c(nn1C)CCC2
InChIInChI=1S/C10H15N3O.C2H6/c1-7(14)12(2)10-8-5-4-6-9(8)11-13(10)3;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyONRVTQYIQCQWBF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.92
Rot. Bonds1

About ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (PubChem CID 90776498) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Nameethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
PubChem CID90776498
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nameethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESCC.CC(=O)N(C)c1c2c(nn1C)CCC2
InChIInChI=1S/C10H15N3O.C2H6/c1-7(14)12(2)10-8-5-4-6-9(8)11-13(10)3;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyONRVTQYIQCQWBF-UHFFFAOYSA-N
XLogP1.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The IUPAC name of ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (CID 90776498) is ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.
What is the SMILES notation for ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The canonical SMILES for ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is CC.CC(=O)N(C)c1c2c(nn1C)CCC2.
What is the InChIKey of ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The InChIKey is ONRVTQYIQCQWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C2H6/c1-7(14)12(2)10-8-5-4-6-9(8)11-13(10)3;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 90776498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).