[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone

C21H27N5OS — CID 9148223

IUPAC[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(CCN(C)C)CC3)cc12
InChIInChI=1S/C21H27N5OS/c1-16-18-15-19(28-21(18)26(22-16)17-7-5-4-6-8-17)20(27)25-13-11-24(12-14-25)10-9-23(2)3/h4-8,15H,9-14H2,1-3H3
InChIKeyFVTXJRVZRGRQIC-UHFFFAOYSA-N
MW397.55 g/mol
LogP2.71
Rot. Bonds5

About [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone

[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone (PubChem CID 9148223) has the molecular formula C21H27N5OS and a molecular weight of 397.55 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
PubChem CID9148223
Molecular FormulaC21H27N5OS
Molecular Weight397.55 g/mol
Exact Mass397.19
IUPAC Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(CCN(C)C)CC3)cc12
InChIInChI=1S/C21H27N5OS/c1-16-18-15-19(28-21(18)26(22-16)17-7-5-4-6-8-17)20(27)25-13-11-24(12-14-25)10-9-23(2)3/h4-8,15H,9-14H2,1-3H3
InChIKeyFVTXJRVZRGRQIC-UHFFFAOYSA-N
XLogP2.71
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone
CID 5125693
(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-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 166287492
(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2021812
N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide
CID 36520985
(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2003814
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
CID 4807692
(4-methyl-1,4-diazepan-4-ium-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2097564
[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 2018606

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone (CID 9148223) is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone is Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(CCN(C)C)CC3)cc12.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is FVTXJRVZRGRQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5OS/c1-16-18-15-19(28-21(18)26(22-16)17-7-5-4-6-8-17)20(27)25-13-11-24(12-14-25)10-9-23(2)3/h4-8,15H,9-14H2,1-3H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 397.55 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 9148223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).