(3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone

C16H15F2N3O — CID 134564013

IUPAC(3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone
SMILESO=C(c1cc2n(n1)C(c1ccccc1)CC2)N1CC(F)(F)C1
InChIInChI=1S/C16H15F2N3O/c17-16(18)9-20(10-16)15(22)13-8-12-6-7-14(21(12)19-13)11-4-2-1-3-5-11/h1-5,8,14H,6-7,9-10H2
InChIKeyOVJCJVMVYHDYNN-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.51
Rot. Bonds2

About (3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone

(3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone (PubChem CID 134564013) has the molecular formula C16H15F2N3O and a molecular weight of 303.31 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone
PubChem CID134564013
Molecular FormulaC16H15F2N3O
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC Name(3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone
SMILESO=C(c1cc2n(n1)C(c1ccccc1)CC2)N1CC(F)(F)C1
InChIInChI=1S/C16H15F2N3O/c17-16(18)9-20(10-16)15(22)13-8-12-6-7-14(21(12)19-13)11-4-2-1-3-5-11/h1-5,8,14H,6-7,9-10H2
InChIKeyOVJCJVMVYHDYNN-UHFFFAOYSA-N
XLogP2.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-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

Related Compounds

(3-fluoro-3-methylazetidin-1-yl)-(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 134563872
[4-(1-adamantyl)piperazin-1-yl]-[(5R,7R)-5,7-diphenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135896448
(3,3-difluoroazetidin-1-yl)-(7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 134563970
(3,3-difluoroazetidin-1-yl)-(5-phenyl-6,7,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-8-yl)methanone;(3-fluoroazetidin-1-yl)-(5-phenyl-6,7,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-8-yl)methanone
CID 159008570
6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one
CID 122269312
(4-methylpiperazin-1-yl)-[(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135984481
(1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 137408314
(3-ethylazetidin-1-yl)-(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 134563992
azetidin-1-yl-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 134563867
[(1R)-2,2-difluorocyclopropyl]-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
CID 137412417
furan-2-yl-[4-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone
CID 135652585
[3-(3,3-difluoroazetidin-1-yl)cyclobutyl] benzoate
CID 176887706

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone (CID 134564013) is (3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone is O=C(c1cc2n(n1)C(c1ccccc1)CC2)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone?
The InChIKey is OVJCJVMVYHDYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O/c17-16(18)9-20(10-16)15(22)13-8-12-6-7-14(21(12)19-13)11-4-2-1-3-5-11/h1-5,8,14H,6-7,9-10H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone?
(3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone has a molecular weight of 303.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanone is sourced from PubChem (CID 134564013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).