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

C23H20ClFN4OS — CID 2018052

IUPAC[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C23H20ClFN4OS/c1-15-20-14-21(31-23(20)29(26-15)19-6-2-16(24)3-7-19)22(30)28-12-10-27(11-13-28)18-8-4-17(25)5-9-18/h2-9,14H,10-13H2,1H3
InChIKeyOSBLWGBKMKCJTP-UHFFFAOYSA-N
MW454.96 g/mol
LogP5.15
Rot. Bonds3

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

[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 2018052) has the molecular formula C23H20ClFN4OS and a molecular weight of 454.96 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID2018052
Molecular FormulaC23H20ClFN4OS
Molecular Weight454.96 g/mol
Exact Mass454.10
IUPAC Name[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C23H20ClFN4OS/c1-15-20-14-21(31-23(20)29(26-15)19-6-2-16(24)3-7-19)22(30)28-12-10-27(11-13-28)18-8-4-17(25)5-9-18/h2-9,14H,10-13H2,1H3
InChIKeyOSBLWGBKMKCJTP-UHFFFAOYSA-N
XLogP5.15
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.96
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2017715
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
CID 4807692
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 2022597
[4-[(4-chlorophenoxy)methyl]piperazin-1-yl]-[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 2023696
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2007468
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
CID 119516664
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 138994139
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone
CID 119579939
N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 55815704
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 18277666
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2037070

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 2018052) is [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc12.
What is the InChIKey of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is OSBLWGBKMKCJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4OS/c1-15-20-14-21(31-23(20)29(26-15)19-6-2-16(24)3-7-19)22(30)28-12-10-27(11-13-28)18-8-4-17(25)5-9-18/h2-9,14H,10-13H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 454.96 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2018052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).