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

C18H19ClN4OS — CID 119579939

IUPAC[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCNC(C)C3)cc12
InChIInChI=1S/C18H19ClN4OS/c1-11-10-22(8-7-20-11)17(24)16-9-15-12(2)21-23(18(15)25-16)14-5-3-13(19)4-6-14/h3-6,9,11,20H,7-8,10H2,1-2H3
InChIKeyOKMLGXYCXGYBDS-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.48
Rot. Bonds2

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

[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone (PubChem CID 119579939) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone
PubChem CID119579939
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCNC(C)C3)cc12
InChIInChI=1S/C18H19ClN4OS/c1-11-10-22(8-7-20-11)17(24)16-9-15-12(2)21-23(18(15)25-16)14-5-3-13(19)4-6-14/h3-6,9,11,20H,7-8,10H2,1-2H3
InChIKeyOKMLGXYCXGYBDS-UHFFFAOYSA-N
XLogP3.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577410
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578757
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2018052
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472885
[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
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2017715
[1-(4-bromophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3771783
1-[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355588
[4-[(4-chlorophenoxy)methyl]piperazin-1-yl]-[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 2023696
[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
CID 166287490
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone (CID 119579939) is [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone is Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCNC(C)C3)cc12.
What is the InChIKey of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone?
The InChIKey is OKMLGXYCXGYBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-11-10-22(8-7-20-11)17(24)16-9-15-12(2)21-23(18(15)25-16)14-5-3-13(19)4-6-14/h3-6,9,11,20H,7-8,10H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone?
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone has a molecular weight of 374.90 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 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]-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119579939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).