azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone

C18H22N4O — CID 135796854

IUPACazepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone
SMILESO=C(c1cnn2c1NC(c1ccccc1)C2)N1CCCCCC1
InChIInChI=1S/C18H22N4O/c23-18(21-10-6-1-2-7-11-21)15-12-19-22-13-16(20-17(15)22)14-8-4-3-5-9-14/h3-5,8-9,12,16,20H,1-2,6-7,10-11,13H2
InChIKeyJQTUYUAMTRKPEI-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.07
Rot. Bonds2

About azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone

azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone (PubChem CID 135796854) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone
PubChem CID135796854
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Nameazepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone
SMILESO=C(c1cnn2c1NC(c1ccccc1)C2)N1CCCCCC1
InChIInChI=1S/C18H22N4O/c23-18(21-10-6-1-2-7-11-21)15-12-19-22-13-16(20-17(15)22)14-8-4-3-5-9-14/h3-5,8-9,12,16,20H,1-2,6-7,10-11,13H2
InChIKeyJQTUYUAMTRKPEI-UHFFFAOYSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone?
The IUPAC name of azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone (CID 135796854) is azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone.
What is the SMILES notation for azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone?
The canonical SMILES for azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone is O=C(c1cnn2c1NC(c1ccccc1)C2)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone?
The InChIKey is JQTUYUAMTRKPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(21-10-6-1-2-7-11-21)15-12-19-22-13-16(20-17(15)22)14-8-4-3-5-9-14/h3-5,8-9,12,16,20H,1-2,6-7,10-11,13H2.
What are the key properties of azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone?
azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl)methanone is sourced from PubChem (CID 135796854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).