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

C21H24N4OS — CID 24793141

IUPAC[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(-c2[nH]ncc2CN2CCN(C(=O)c3cccs3)CC2)cc1C
InChIInChI=1S/C21H24N4OS/c1-15-5-6-17(12-16(15)2)20-18(13-22-23-20)14-24-7-9-25(10-8-24)21(26)19-4-3-11-27-19/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,23)
InChIKeySJUKVGKRBNRKAT-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.71
Rot. Bonds4

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

[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 24793141) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is [4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID24793141
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(-c2[nH]ncc2CN2CCN(C(=O)c3cccs3)CC2)cc1C
InChIInChI=1S/C21H24N4OS/c1-15-5-6-17(12-16(15)2)20-18(13-22-23-20)14-24-7-9-25(10-8-24)21(26)19-4-3-11-27-19/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,23)
InChIKeySJUKVGKRBNRKAT-UHFFFAOYSA-N
XLogP3.71
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 74229930
ethyl 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine-1-carboxylate
CID 25285258
1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 26394276
oxalic acid;thiophen-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17366168
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine
CID 26391879
2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 75496879
7-methyl-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CID 17399460
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 56819755
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8710296
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 24642065
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;oxalic acid
CID 2926890

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 24793141) is [4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1ccc(-c2[nH]ncc2CN2CCN(C(=O)c3cccs3)CC2)cc1C.
What is the InChIKey of [4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is SJUKVGKRBNRKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15-5-6-17(12-16(15)2)20-18(13-22-23-20)14-24-7-9-25(10-8-24)21(26)19-4-3-11-27-19/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,23).
What are the key properties of [4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 380.52 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 24793141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).