azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

C17H15N3OS — CID 7677674

IUPACazetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC1
InChIInChI=1S/C17H15N3OS/c21-17(19-9-5-10-19)14-12-20(13-6-2-1-3-7-13)18-16(14)15-8-4-11-22-15/h1-4,6-8,11-12H,5,9-10H2
InChIKeyDVEKKAYRLBZARZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.45
Rot. Bonds3

About azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (PubChem CID 7677674) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
PubChem CID7677674
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Nameazetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC1
InChIInChI=1S/C17H15N3OS/c21-17(19-9-5-10-19)14-12-20(13-6-2-1-3-7-13)18-16(14)15-8-4-11-22-15/h1-4,6-8,11-12H,5,9-10H2
InChIKeyDVEKKAYRLBZARZ-UHFFFAOYSA-N
XLogP3.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-1,4-diazepan-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 78769505
(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119375478
(3S)-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113520
[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119491605
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 55516612
N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 42115461
N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491792
N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46565675
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 75835258
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 134056723
1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324242
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The IUPAC name of azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (CID 7677674) is azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The InChIKey is DVEKKAYRLBZARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-17(19-9-5-10-19)14-12-20(13-6-2-1-3-7-13)18-16(14)15-8-4-11-22-15/h1-4,6-8,11-12H,5,9-10H2.
What are the key properties of azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone has a molecular weight of 309.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 7677674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).