N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide

C20H27N3O — CID 6625280

IUPACN-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cc2c(n1)CCCCCC2
InChIInChI=1S/C20H27N3O/c1-2-22(14-17-10-6-5-7-11-17)20(24)16-23-15-18-12-8-3-4-9-13-19(18)21-23/h5-7,10-11,15H,2-4,8-9,12-14,16H2,1H3
InChIKeyBMBFWWDDWDVVLG-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.59
Rot. Bonds5

About N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide

N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide (PubChem CID 6625280) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide
PubChem CID6625280
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cc2c(n1)CCCCCC2
InChIInChI=1S/C20H27N3O/c1-2-22(14-17-10-6-5-7-11-17)20(24)16-23-15-18-12-8-3-4-9-13-19(18)21-23/h5-7,10-11,15H,2-4,8-9,12-14,16H2,1H3
InChIKeyBMBFWWDDWDVVLG-UHFFFAOYSA-N
XLogP3.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide (CID 6625280) is N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide is CCN(Cc1ccccc1)C(=O)Cn1cc2c(n1)CCCCCC2.
What is the InChIKey of N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide?
The InChIKey is BMBFWWDDWDVVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-22(14-17-10-6-5-7-11-17)20(24)16-23-15-18-12-8-3-4-9-13-19(18)21-23/h5-7,10-11,15H,2-4,8-9,12-14,16H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide?
N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide has a molecular weight of 325.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 6625280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).