1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone

C17H22N4OS — CID 91629026

IUPAC1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCn1nc(C2CC2)cc1N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C17H22N4OS/c1-19-16(12-15(18-19)13-4-5-13)20-6-8-21(9-7-20)17(22)11-14-3-2-10-23-14/h2-3,10,12-13H,4-9,11H2,1H3
InChIKeyFWAMDHQOLHLPES-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.25
Rot. Bonds4

About 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 91629026) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID91629026
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCn1nc(C2CC2)cc1N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C17H22N4OS/c1-19-16(12-15(18-19)13-4-5-13)20-6-8-21(9-7-20)17(22)11-14-3-2-10-23-14/h2-3,10,12-13H,4-9,11H2,1H3
InChIKeyFWAMDHQOLHLPES-UHFFFAOYSA-N
XLogP2.25
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 91629026) is 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone is Cn1nc(C2CC2)cc1N1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is FWAMDHQOLHLPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-19-16(12-15(18-19)13-4-5-13)20-6-8-21(9-7-20)17(22)11-14-3-2-10-23-14/h2-3,10,12-13H,4-9,11H2,1H3.
What are the key properties of 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 330.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 91629026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).