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

C17H27N3O — CID 5309486

IUPACN-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NC1CCCCCC1
InChIInChI=1S/C17H27N3O/c21-17(18-15-9-5-1-2-6-10-15)13-20-12-14-8-4-3-7-11-16(14)19-20/h12,15H,1-11,13H2,(H,18,21)
InChIKeyRIQRFNSVNTUXAT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds3

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

N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (PubChem CID 5309486) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
PubChem CID5309486
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NC1CCCCCC1
InChIInChI=1S/C17H27N3O/c21-17(18-15-9-5-1-2-6-10-15)13-20-12-14-8-4-3-7-11-16(14)19-20/h12,15H,1-11,13H2,(H,18,21)
InChIKeyRIQRFNSVNTUXAT-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307608
ethyl 4-[[2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308521
N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5308827
N-(3-morpholin-4-ylpropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309028
N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309109
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309220
N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309319
N-(2-morpholin-4-ylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309690
N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307472
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309509
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309567
N-(2,3-dimethylcyclohexyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307263

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (CID 5309486) is N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCCC2)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The InChIKey is RIQRFNSVNTUXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c21-17(18-15-9-5-1-2-6-10-15)13-20-12-14-8-4-3-7-11-16(14)19-20/h12,15H,1-11,13H2,(H,18,21).
What are the key properties of N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 5309486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).