1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine

C18H20N4O2S2 — CID 53130925

IUPAC1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine
SMILESCn1nccc1-c1csc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H20N4O2S2/c1-20-17(7-8-19-20)15-13-18(25-14-15)26(23,24)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyNNQIKMMHGBSPHZ-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.66
Rot. Bonds4

About 1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine

1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine (PubChem CID 53130925) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine
PubChem CID53130925
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine
SMILESCn1nccc1-c1csc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H20N4O2S2/c1-20-17(7-8-19-20)15-13-18(25-14-15)26(23,24)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyNNQIKMMHGBSPHZ-UHFFFAOYSA-N
XLogP2.66
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole
CID 50839209
5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 45308206
2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole
CID 53127291
5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
CID 51048399
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 20974218
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 139582153
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone
CID 50777841
4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 50835113
5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine
CID 56920069
3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
CID 51053850

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine (CID 53130925) is 1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine is Cn1nccc1-c1csc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine?
The InChIKey is NNQIKMMHGBSPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-20-17(7-8-19-20)15-13-18(25-14-15)26(23,24)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine?
1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine has a molecular weight of 388.52 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 53130925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).