1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone

C15H16FN3O — CID 53014806

IUPAC1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
SMILESCC(=O)N1CCCn2nc(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C15H16FN3O/c1-11(20)18-7-2-8-19-14(10-18)9-15(17-19)12-3-5-13(16)6-4-12/h3-6,9H,2,7-8,10H2,1H3
InChIKeyVRSLGXBVKTVBLN-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.44
Rot. Bonds1

About 1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone

1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone (PubChem CID 53014806) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
PubChem CID53014806
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
SMILESCC(=O)N1CCCn2nc(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C15H16FN3O/c1-11(20)18-7-2-8-19-14(10-18)9-15(17-19)12-3-5-13(16)6-4-12/h3-6,9H,2,7-8,10H2,1H3
InChIKeyVRSLGXBVKTVBLN-UHFFFAOYSA-N
XLogP2.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone (CID 53014806) is 1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone is CC(=O)N1CCCn2nc(-c3ccc(F)cc3)cc2C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone?
The InChIKey is VRSLGXBVKTVBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-11(20)18-7-2-8-19-14(10-18)9-15(17-19)12-3-5-13(16)6-4-12/h3-6,9H,2,7-8,10H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone?
1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone has a molecular weight of 273.31 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone is sourced from PubChem (CID 53014806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).