N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C23H26N6OS — CID 92596463

IUPACN-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCCn2ncc(-c3ccccn3)c2-c2cccs2)c(C)c1C
InChIInChI=1S/C23H26N6OS/c1-16-17(2)27-28(18(16)3)12-9-22(30)25-11-13-29-23(21-8-6-14-31-21)19(15-26-29)20-7-4-5-10-24-20/h4-8,10,14-15H,9,11-13H2,1-3H3,(H,25,30)
InChIKeyWDYGYSLGSLMLMP-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.00
Rot. Bonds8

About N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 92596463) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID92596463
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC NameN-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCCn2ncc(-c3ccccn3)c2-c2cccs2)c(C)c1C
InChIInChI=1S/C23H26N6OS/c1-16-17(2)27-28(18(16)3)12-9-22(30)25-11-13-29-23(21-8-6-14-31-21)19(15-26-29)20-7-4-5-10-24-20/h4-8,10,14-15H,9,11-13H2,1-3H3,(H,25,30)
InChIKeyWDYGYSLGSLMLMP-UHFFFAOYSA-N
XLogP4.00
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 92596463) is N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)NCCn2ncc(-c3ccccn3)c2-c2cccs2)c(C)c1C.
What is the InChIKey of N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is WDYGYSLGSLMLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-16-17(2)27-28(18(16)3)12-9-22(30)25-11-13-29-23(21-8-6-14-31-21)19(15-26-29)20-7-4-5-10-24-20/h4-8,10,14-15H,9,11-13H2,1-3H3,(H,25,30).
What are the key properties of N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 434.57 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 92596463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).