2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C20H20N4O2S — CID 18152355

IUPAC2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cnn(-c2ccccc2)c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H20N4O2S/c25-19(13-16-14-21-24(15-16)17-5-2-1-3-6-17)22-8-10-23(11-9-22)20(26)18-7-4-12-27-18/h1-7,12,14-15H,8-11,13H2
InChIKeyABYLLUAIMXIJIS-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.46
Rot. Bonds4

About 2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 18152355) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID18152355
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cnn(-c2ccccc2)c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H20N4O2S/c25-19(13-16-14-21-24(15-16)17-5-2-1-3-6-17)22-8-10-23(11-9-22)20(26)18-7-4-12-27-18/h1-7,12,14-15H,8-11,13H2
InChIKeyABYLLUAIMXIJIS-UHFFFAOYSA-N
XLogP2.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone
CID 119400257
1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558627
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone
CID 87030114
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate
CID 31763477
1-phenyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 9022754
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 51336206
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 39570966
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 18152355) is 2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ABYLLUAIMXIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19(13-16-14-21-24(15-16)17-5-2-1-3-6-17)22-8-10-23(11-9-22)20(26)18-7-4-12-27-18/h1-7,12,14-15H,8-11,13H2.
What are the key properties of 2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 380.47 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 18152355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).