cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

C17H18FN3O — CID 53014807

IUPACcyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESO=C(C1CC1)N1CCCn2nc(-c3cccc(F)c3)cc2C1
InChIInChI=1S/C17H18FN3O/c18-14-4-1-3-13(9-14)16-10-15-11-20(17(22)12-5-6-12)7-2-8-21(15)19-16/h1,3-4,9-10,12H,2,5-8,11H2
InChIKeyAQXABTBUSDSVIW-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.83
Rot. Bonds2

About cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 53014807) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID53014807
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Namecyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESO=C(C1CC1)N1CCCn2nc(-c3cccc(F)c3)cc2C1
InChIInChI=1S/C17H18FN3O/c18-14-4-1-3-13(9-14)16-10-15-11-20(17(22)12-5-6-12)7-2-8-21(15)19-16/h1,3-4,9-10,12H,2,5-8,11H2
InChIKeyAQXABTBUSDSVIW-UHFFFAOYSA-N
XLogP2.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 53014807) is cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is O=C(C1CC1)N1CCCn2nc(-c3cccc(F)c3)cc2C1.
What is the InChIKey of cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is AQXABTBUSDSVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-4-1-3-13(9-14)16-10-15-11-20(17(22)12-5-6-12)7-2-8-21(15)19-16/h1,3-4,9-10,12H,2,5-8,11H2.
What are the key properties of cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 299.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 53014807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).