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

C18H20Cl2N4OS — CID 119472885

IUPAC[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCNCC3C)cc12.Cl
InChIInChI=1S/C18H19ClN4OS.ClH/c1-11-10-20-7-8-22(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;1H
InChIKeyGZOGTMBXHWPFHV-UHFFFAOYSA-N
MW411.36 g/mol
LogP3.90
Rot. Bonds2

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

[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119472885) has the molecular formula C18H20Cl2N4OS and a molecular weight of 411.36 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119472885
Molecular FormulaC18H20Cl2N4OS
Molecular Weight411.36 g/mol
Exact Mass410.07
IUPAC Name[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCNCC3C)cc12.Cl
InChIInChI=1S/C18H19ClN4OS.ClH/c1-11-10-20-7-8-22(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;1H
InChIKeyGZOGTMBXHWPFHV-UHFFFAOYSA-N
XLogP3.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119471958
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone
CID 119579939
1-[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355588
[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-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2018052
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 2022597
(3R)-4-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-methyl-1,4-diazepan-2-one
CID 124620013
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
[2-(3-chlorophenyl)piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 120803531
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577410
[4-[(4-chlorophenoxy)methyl]piperazin-1-yl]-[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 2023696
(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704719

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119472885) is [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride is Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCNCC3C)cc12.Cl.
What is the InChIKey of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is GZOGTMBXHWPFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS.ClH/c1-11-10-20-7-8-22(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;1H.
What are the key properties of [1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 411.36 g/mol, XLogP of 3.90, 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]-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119472885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).