N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide

C16H21N5O2S — CID 75372500

IUPACN-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
SMILESCN1CCN(C(=O)Cn2ccc(NC(=O)Cc3cccs3)n2)CC1
InChIInChI=1S/C16H21N5O2S/c1-19-6-8-20(9-7-19)16(23)12-21-5-4-14(18-21)17-15(22)11-13-3-2-10-24-13/h2-5,10H,6-9,11-12H2,1H3,(H,17,18,22)
InChIKeyYTCPLTGCUNULBK-UHFFFAOYSA-N
MW347.44 g/mol
LogP0.90
Rot. Bonds5

About N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide

N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 75372500) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
PubChem CID75372500
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
SMILESCN1CCN(C(=O)Cn2ccc(NC(=O)Cc3cccs3)n2)CC1
InChIInChI=1S/C16H21N5O2S/c1-19-6-8-20(9-7-19)16(23)12-21-5-4-14(18-21)17-15(22)11-13-3-2-10-24-13/h2-5,10H,6-9,11-12H2,1H3,(H,17,18,22)
InChIKeyYTCPLTGCUNULBK-UHFFFAOYSA-N
XLogP0.90
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide (CID 75372500) is N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide is CN1CCN(C(=O)Cn2ccc(NC(=O)Cc3cccs3)n2)CC1.
What is the InChIKey of N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is YTCPLTGCUNULBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-19-6-8-20(9-7-19)16(23)12-21-5-4-14(18-21)17-15(22)11-13-3-2-10-24-13/h2-5,10H,6-9,11-12H2,1H3,(H,17,18,22).
What are the key properties of N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide?
N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 347.44 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 75372500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).