[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

C13H14N4O2S — CID 60788153

IUPAC[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cn[nH]c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H14N4O2S/c18-12(10-8-14-15-9-10)16-3-5-17(6-4-16)13(19)11-2-1-7-20-11/h1-2,7-9H,3-6H2,(H,14,15)
InChIKeyKPBNNJJDCADEKJ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.07
Rot. Bonds2

About [4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 60788153) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is [4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID60788153
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cn[nH]c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H14N4O2S/c18-12(10-8-14-15-9-10)16-3-5-17(6-4-16)13(19)11-2-1-7-20-11/h1-2,7-9H,3-6H2,(H,14,15)
InChIKeyKPBNNJJDCADEKJ-UHFFFAOYSA-N
XLogP1.07
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 119065113
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-(1H-pyrazol-4-yl)methanone
CID 119104309
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
[4-(2-bromoethyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660526
[4-(4-bromo-1H-pyrrole-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 18115147
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062

Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 60788153) is [4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cn[nH]c1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is KPBNNJJDCADEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-12(10-8-14-15-9-10)16-3-5-17(6-4-16)13(19)11-2-1-7-20-11/h1-2,7-9H,3-6H2,(H,14,15).
What are the key properties of [4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 290.35 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 60788153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).