[2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone

C18H16FN3OS — CID 70713095

IUPAC[2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC3c3ccc(F)cc3)n[nH]2)s1
InChIInChI=1S/C18H16FN3OS/c1-11-2-7-17(24-11)14-10-15(21-20-14)18(23)22-9-8-16(22)12-3-5-13(19)6-4-12/h2-7,10,16H,8-9H2,1H3,(H,20,21)
InChIKeyCHHKURTWSSDJCF-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.17
Rot. Bonds3

About [2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone

[2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 70713095) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID70713095
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name[2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC3c3ccc(F)cc3)n[nH]2)s1
InChIInChI=1S/C18H16FN3OS/c1-11-2-7-17(24-11)14-10-15(21-20-14)18(23)22-9-8-16(22)12-3-5-13(19)6-4-12/h2-7,10,16H,8-9H2,1H3,(H,20,21)
InChIKeyCHHKURTWSSDJCF-UHFFFAOYSA-N
XLogP4.17
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone with MolForge

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Related Compounds

(2R)-1-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]azetidine-2-carboxylic acid
CID 97284605
1-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]azetidine-2-carboxylic acid
CID 72929172
[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 97123063
[(3R)-3-methylmorpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 37192686
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70729636
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 30836006
[(4aS,7aR)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 133112307
(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 70738729
(2-butyl-2,5-dihydropyrrol-1-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70748805
(1S,8R)-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155497530
1-(azepan-1-yl)-2-[4-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 25348298
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (CID 70713095) is [2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCC3c3ccc(F)cc3)n[nH]2)s1.
What is the InChIKey of [2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is CHHKURTWSSDJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-11-2-7-17(24-11)14-10-15(21-20-14)18(23)22-9-8-16(22)12-3-5-13(19)6-4-12/h2-7,10,16H,8-9H2,1H3,(H,20,21).
What are the key properties of [2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
[2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 70713095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).