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

C19H26N4OS — CID 52907365

IUPAC[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCN(CCn2cccn2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H26N4OS/c24-18(19(6-1-2-7-19)17-5-3-16-25-17)22-13-10-21(11-14-22)12-15-23-9-4-8-20-23/h3-5,8-9,16H,1-2,6-7,10-15H2
InChIKeyOCRIYARYNFXNHP-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.60
Rot. Bonds5

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

[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 52907365) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID52907365
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCN(CCn2cccn2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H26N4OS/c24-18(19(6-1-2-7-19)17-5-3-16-25-17)22-13-10-21(11-14-22)12-15-23-9-4-8-20-23/h3-5,8-9,16H,1-2,6-7,10-15H2
InChIKeyOCRIYARYNFXNHP-UHFFFAOYSA-N
XLogP2.60
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 52907365) is [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CCN(CCn2cccn2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is OCRIYARYNFXNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c24-18(19(6-1-2-7-19)17-5-3-16-25-17)22-13-10-21(11-14-22)12-15-23-9-4-8-20-23/h3-5,8-9,16H,1-2,6-7,10-15H2.
What are the key properties of [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 358.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 52907365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).