(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone

C20H24N4OS — CID 2003814

IUPAC(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cc3c(C)nn(-c4cccc(C)c4)c3s2)CC1
InChIInChI=1S/C20H24N4OS/c1-4-22-8-10-23(11-9-22)19(25)18-13-17-15(3)21-24(20(17)26-18)16-7-5-6-14(2)12-16/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyCYULLXTUVGBWIZ-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.48
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone

(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone (PubChem CID 2003814) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
PubChem CID2003814
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cc3c(C)nn(-c4cccc(C)c4)c3s2)CC1
InChIInChI=1S/C20H24N4OS/c1-4-22-8-10-23(11-9-22)19(25)18-13-17-15(3)21-24(20(17)26-18)16-7-5-6-14(2)12-16/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyCYULLXTUVGBWIZ-UHFFFAOYSA-N
XLogP3.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 2018606
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 3825563
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2003930
N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide
CID 36520985
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 9148223
(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
CID 4807692
(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 60510046
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone
CID 5125693
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 1076000

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone (CID 2003814) is (4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone is CCN1CCN(C(=O)c2cc3c(C)nn(-c4cccc(C)c4)c3s2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
The InChIKey is CYULLXTUVGBWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-4-22-8-10-23(11-9-22)19(25)18-13-17-15(3)21-24(20(17)26-18)16-7-5-6-14(2)12-16/h5-7,12-13H,4,8-11H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone has a molecular weight of 368.51 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 2003814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).