1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone

C13H19N3O — CID 5308409

IUPAC1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCC2)N1CCCC1
InChIInChI=1S/C13H19N3O/c17-13(15-7-3-4-8-15)10-16-9-11-5-1-2-6-12(11)14-16/h9H,1-8,10H2
InChIKeyJOAKXHMFCDAVNA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.38
Rot. Bonds2

About 1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone

1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone (PubChem CID 5308409) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
PubChem CID5308409
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCC2)N1CCCC1
InChIInChI=1S/C13H19N3O/c17-13(15-7-3-4-8-15)10-16-9-11-5-1-2-6-12(11)14-16/h9H,1-8,10H2
InChIKeyJOAKXHMFCDAVNA-UHFFFAOYSA-N
XLogP1.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
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-(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
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
N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309319
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309687
N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307472
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309382
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309567
2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetic acid
CID 3235997
ethyl 4-(4,5,6,7-tetrahydro-2H-indazol-2-ylacetyl)piperazine-1-carboxylate
CID 3237937

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone (CID 5308409) is 1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone is O=C(Cn1cc2c(n1)CCCC2)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The InChIKey is JOAKXHMFCDAVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(15-7-3-4-8-15)10-16-9-11-5-1-2-6-12(11)14-16/h9H,1-8,10H2.
What are the key properties of 1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone is sourced from PubChem (CID 5308409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).