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

C19H22N4OS — CID 2018606

IUPAC[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(-n2nc(C)c3cc(C(=O)N4CCN(C)CC4)sc32)c1
InChIInChI=1S/C19H22N4OS/c1-13-5-4-6-15(11-13)23-19-16(14(2)20-23)12-17(25-19)18(24)22-9-7-21(3)8-10-22/h4-6,11-12H,7-10H2,1-3H3
InChIKeyPGPWNRTWYMDDKC-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.09
Rot. Bonds2

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

[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 2018606) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is [3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID2018606
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(-n2nc(C)c3cc(C(=O)N4CCN(C)CC4)sc32)c1
InChIInChI=1S/C19H22N4OS/c1-13-5-4-6-15(11-13)23-19-16(14(2)20-23)12-17(25-19)18(24)22-9-7-21(3)8-10-22/h4-6,11-12H,7-10H2,1-3H3
InChIKeyPGPWNRTWYMDDKC-UHFFFAOYSA-N
XLogP3.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2003814
[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
(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 60510046
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 9148223
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 1076000
[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112790787
N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide
CID 36520985
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2008259
(4-methyl-1,4-diazepan-4-ium-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2097564

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 2018606) is [3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cccc(-n2nc(C)c3cc(C(=O)N4CCN(C)CC4)sc32)c1.
What is the InChIKey of [3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is PGPWNRTWYMDDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13-5-4-6-15(11-13)23-19-16(14(2)20-23)12-17(25-19)18(24)22-9-7-21(3)8-10-22/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of [3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 354.48 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 2018606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).