N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C16H25N3O — CID 5307472

IUPACN-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NC1CCCCCC1
InChIInChI=1S/C16H25N3O/c20-16(17-14-8-3-1-2-4-9-14)12-19-11-13-7-5-6-10-15(13)18-19/h11,14H,1-10,12H2,(H,17,20)
InChIKeyTXLOQRLZAYZTPA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.60
Rot. Bonds3

About N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5307472) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5307472
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NC1CCCCCC1
InChIInChI=1S/C16H25N3O/c20-16(17-14-8-3-1-2-4-9-14)12-19-11-13-7-5-6-10-15(13)18-19/h11,14H,1-10,12H2,(H,17,20)
InChIKeyTXLOQRLZAYZTPA-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
CID 5307336
N-(2,3-dimethylcyclohexyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307420
N-[2-(cyclohexen-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307608
1-(Azepan-1-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308236
Ethyl 4-[[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308852
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309025
N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309109
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(3-propylsulfanylpropyl)acetamide
CID 5309215
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
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5309454
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309687

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5307472) is N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCC2)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is TXLOQRLZAYZTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(17-14-8-3-1-2-4-9-14)12-19-11-13-7-5-6-10-15(13)18-19/h11,14H,1-10,12H2,(H,17,20).
What are the key properties of N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5307472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).