N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

C17H21N3O — CID 5309308

IUPACN-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NCc1ccccc1
InChIInChI=1S/C17H21N3O/c21-17(18-11-14-7-3-1-4-8-14)13-20-12-15-9-5-2-6-10-16(15)19-20/h1,3-4,7-8,12H,2,5-6,9-11,13H2,(H,18,21)
InChIKeyXGUSWTLUDYBKMW-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.47
Rot. Bonds4

About N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (PubChem CID 5309308) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
PubChem CID5309308
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NCc1ccccc1
InChIInChI=1S/C17H21N3O/c21-17(18-11-14-7-3-1-4-8-14)13-20-12-15-9-5-2-6-10-16(15)19-20/h1,3-4,7-8,12H,2,5-6,9-11,13H2,(H,18,21)
InChIKeyXGUSWTLUDYBKMW-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ripazepam
CID 33474
N-(2-bromophenyl)-2-(5,6,7,8-tetrahydrocyclohepta[c]pyrazol-2(4H)-yl)acetamide
CID 16195572
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
Ipazilide
CID 60650
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308006
1-(2,3-dihydroindol-1-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
CID 5308133
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
CID 5308315
N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5308827
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309042
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309220

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (CID 5309308) is N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCCC2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The InChIKey is XGUSWTLUDYBKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(18-11-14-7-3-1-4-8-14)13-20-12-15-9-5-2-6-10-16(15)19-20/h1,3-4,7-8,12H,2,5-6,9-11,13H2,(H,18,21).
What are the key properties of N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 5309308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).