azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

C17H16FN3OS — CID 17423880

IUPACazetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC3)cc12
InChIInChI=1S/C17H16FN3OS/c1-11-14-9-15(16(22)20-7-2-8-20)23-17(14)21(19-11)10-12-3-5-13(18)6-4-12/h3-6,9H,2,7-8,10H2,1H3
InChIKeyXJMDOLUJXGETMT-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.44
Rot. Bonds3

About azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (PubChem CID 17423880) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
PubChem CID17423880
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Nameazetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC3)cc12
InChIInChI=1S/C17H16FN3OS/c1-11-14-9-15(16(22)20-7-2-8-20)23-17(14)21(19-11)10-12-3-5-13(18)6-4-12/h3-6,9H,2,7-8,10H2,1H3
InChIKeyXJMDOLUJXGETMT-UHFFFAOYSA-N
XLogP3.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17458444
[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 27670273
azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494
[4-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 46578860
(2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 42892420
2-[4-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451935
[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46656222
[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 154835011
1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528241
(3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 119380770
[1-[(2,6-dichlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769213
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7960954

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (CID 17423880) is azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC3)cc12.
What is the InChIKey of azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The InChIKey is XJMDOLUJXGETMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-11-14-9-15(16(22)20-7-2-8-20)23-17(14)21(19-11)10-12-3-5-13(18)6-4-12/h3-6,9H,2,7-8,10H2,1H3.
What are the key properties of azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 3.44, 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-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 17423880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).