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

C13H19ClN4OS — CID 119578757

IUPAC(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1nn(C)c2sc(C(=O)N3CCNC(C)C3)cc12.Cl
InChIInChI=1S/C13H18N4OS.ClH/c1-8-7-17(5-4-14-8)12(18)11-6-10-9(2)15-16(3)13(10)19-11;/h6,8,14H,4-5,7H2,1-3H3;1H
InChIKeyXEAXIELBGKHRIJ-UHFFFAOYSA-N
MW314.84 g/mol
LogP1.80
Rot. Bonds1

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

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119578757) has the molecular formula C13H19ClN4OS and a molecular weight of 314.84 g/mol. Its IUPAC name is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119578757
Molecular FormulaC13H19ClN4OS
Molecular Weight314.84 g/mol
Exact Mass314.10
IUPAC Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1nn(C)c2sc(C(=O)N3CCNC(C)C3)cc12.Cl
InChIInChI=1S/C13H18N4OS.ClH/c1-8-7-17(5-4-14-8)12(18)11-6-10-9(2)15-16(3)13(10)19-11;/h6,8,14H,4-5,7H2,1-3H3;1H
InChIKeyXEAXIELBGKHRIJ-UHFFFAOYSA-N
XLogP1.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 51.80
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-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperazin-1-yl)methanone
CID 119579939
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416107
1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118960
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone
CID 166227098
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119471958
1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 56816839
(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402426
6-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128069
[(3R)-3-methylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 81427482
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119578757) is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is Cc1nn(C)c2sc(C(=O)N3CCNC(C)C3)cc12.Cl.
What is the InChIKey of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is XEAXIELBGKHRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS.ClH/c1-8-7-17(5-4-14-8)12(18)11-6-10-9(2)15-16(3)13(10)19-11;/h6,8,14H,4-5,7H2,1-3H3;1H.
What are the key properties of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 314.84 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119578757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).