[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone

C20H22N4OS — CID 136536307

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(-c4ccn[nH]4)s3)CC2)c1C
InChIInChI=1S/C20H22N4OS/c1-14-4-3-5-17(15(14)2)23-10-12-24(13-11-23)20(25)19-7-6-18(26-19)16-8-9-21-22-16/h3-9H,10-13H2,1-2H3,(H,21,22)
InChIKeyWLIKZBBJHTYKCT-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.72
Rot. Bonds3

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone (PubChem CID 136536307) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
PubChem CID136536307
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(-c4ccn[nH]4)s3)CC2)c1C
InChIInChI=1S/C20H22N4OS/c1-14-4-3-5-17(15(14)2)23-10-12-24(13-11-23)20(25)19-7-6-18(26-19)16-8-9-21-22-16/h3-9H,10-13H2,1-2H3,(H,21,22)
InChIKeyWLIKZBBJHTYKCT-UHFFFAOYSA-N
XLogP3.72
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone with MolForge

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Related Compounds

3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136832045
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 25408411
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 110695733
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
(2-butyl-4-methyl-1,3-thiazol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 55684389
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108531669
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone (CID 136536307) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(-c4ccn[nH]4)s3)CC2)c1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
The InChIKey is WLIKZBBJHTYKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-4-3-5-17(15(14)2)23-10-12-24(13-11-23)20(25)19-7-6-18(26-19)16-8-9-21-22-16/h3-9H,10-13H2,1-2H3,(H,21,22).
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone has a molecular weight of 366.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 136536307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).