(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone

C15H20N4OS — CID 56819060

IUPAC(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCN(CCc3cccs3)CC2)cn1
InChIInChI=1S/C15H20N4OS/c1-17-12-13(11-16-17)15(20)19-8-6-18(7-9-19)5-4-14-3-2-10-21-14/h2-3,10-12H,4-9H2,1H3
InChIKeyOVTNOVPCENUDDP-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.48
Rot. Bonds4

About (1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone

(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 56819060) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
PubChem CID56819060
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCN(CCc3cccs3)CC2)cn1
InChIInChI=1S/C15H20N4OS/c1-17-12-13(11-16-17)15(20)19-8-6-18(7-9-19)5-4-14-3-2-10-21-14/h2-3,10-12H,4-9H2,1H3
InChIKeyOVTNOVPCENUDDP-UHFFFAOYSA-N
XLogP1.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 35383078
(1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 70720101
imidazo[1,2-a]pyridin-6-yl-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56785307
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
2-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]acetic acid
CID 19622022
[(5aS,8aS)-4-(thiophen-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(1-methylpyrazol-4-yl)methanone
CID 97423131
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 51084810
[5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 166230451
N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3600955
(5-hydroxy-3-pyridinyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 63859389
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
[(5aR,8aS)-7-(thiophen-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]-(1-methylpyrazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155854087

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone (CID 56819060) is (1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone is Cn1cc(C(=O)N2CCN(CCc3cccs3)CC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is OVTNOVPCENUDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-17-12-13(11-16-17)15(20)19-8-6-18(7-9-19)5-4-14-3-2-10-21-14/h2-3,10-12H,4-9H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 304.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56819060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).