1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone

C14H21N3O — CID 20892415

IUPAC1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCCC2)N1CCCC1
InChIInChI=1S/C14H21N3O/c18-14(16-8-4-5-9-16)11-17-10-12-6-2-1-3-7-13(12)15-17/h10H,1-9,11H2
InChIKeyUBSXYIOLIFNQNT-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.77
Rot. Bonds2

About 1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone

1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone (PubChem CID 20892415) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
PubChem CID20892415
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCCC2)N1CCCC1
InChIInChI=1S/C14H21N3O/c18-14(16-8-4-5-9-16)11-17-10-12-6-2-1-3-7-13(12)15-17/h10H,1-9,11H2
InChIKeyUBSXYIOLIFNQNT-UHFFFAOYSA-N
XLogP1.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone (CID 20892415) is 1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone is O=C(Cn1cc2c(n1)CCCCC2)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The InChIKey is UBSXYIOLIFNQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(16-8-4-5-9-16)11-17-10-12-6-2-1-3-7-13(12)15-17/h10H,1-9,11H2.
What are the key properties of 1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
1-pyrrolidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.77, 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-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone is sourced from PubChem (CID 20892415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).