4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

C22H21N5O2S — CID 92611492

IUPAC4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESCOCc1ccc(C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)cc1
InChIInChI=1S/C22H21N5O2S/c1-29-15-16-4-6-17(7-5-16)22(28)25-10-11-27-21(20-3-2-12-30-20)18(13-26-27)19-14-23-8-9-24-19/h2-9,12-14H,10-11,15H2,1H3,(H,25,28)
InChIKeyHQZSVQMRQKUZCB-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.64
Rot. Bonds8

About 4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 92611492) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID92611492
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESCOCc1ccc(C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)cc1
InChIInChI=1S/C22H21N5O2S/c1-29-15-16-4-6-17(7-5-16)22(28)25-10-11-27-21(20-3-2-12-30-20)18(13-26-27)19-14-23-8-9-24-19/h2-9,12-14H,10-11,15H2,1H3,(H,25,28)
InChIKeyHQZSVQMRQKUZCB-UHFFFAOYSA-N
XLogP3.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (CID 92611492) is 4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is COCc1ccc(C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is HQZSVQMRQKUZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-29-15-16-4-6-17(7-5-16)22(28)25-10-11-27-21(20-3-2-12-30-20)18(13-26-27)19-14-23-8-9-24-19/h2-9,12-14H,10-11,15H2,1H3,(H,25,28).
What are the key properties of 4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 419.51 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 92611492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).