azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone

C14H21N3O — CID 71920574

IUPACazepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
SMILESO=C(C1CCCc2[nH]ncc21)N1CCCCCC1
InChIInChI=1S/C14H21N3O/c18-14(17-8-3-1-2-4-9-17)11-6-5-7-13-12(11)10-15-16-13/h10-11H,1-9H2,(H,15,16)
InChIKeyLVUSFWRCPJWUKI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.23
Rot. Bonds1

About azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone

azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone (PubChem CID 71920574) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
PubChem CID71920574
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Nameazepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
SMILESO=C(C1CCCc2[nH]ncc21)N1CCCCCC1
InChIInChI=1S/C14H21N3O/c18-14(17-8-3-1-2-4-9-17)11-6-5-7-13-12(11)10-15-16-13/h10-11H,1-9H2,(H,15,16)
InChIKeyLVUSFWRCPJWUKI-UHFFFAOYSA-N
XLogP2.23
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The IUPAC name of azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone (CID 71920574) is azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone.
What is the SMILES notation for azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The canonical SMILES for azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone is O=C(C1CCCc2[nH]ncc21)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The InChIKey is LVUSFWRCPJWUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(17-8-3-1-2-4-9-17)11-6-5-7-13-12(11)10-15-16-13/h10-11H,1-9H2,(H,15,16).
What are the key properties of azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone is sourced from PubChem (CID 71920574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).