5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide

C21H20N6OS — CID 42376608

IUPAC5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCCc3cccnc3)c2C)nc1-c1cccs1
InChIInChI=1S/C21H20N6OS/c1-14-11-24-21(26-19(14)18-6-4-10-29-18)27-15(2)17(13-25-27)20(28)23-9-7-16-5-3-8-22-12-16/h3-6,8,10-13H,7,9H2,1-2H3,(H,23,28)
InChIKeyQYENSQJWEHPUJA-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.38
Rot. Bonds6

About 5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide

5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide (PubChem CID 42376608) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
PubChem CID42376608
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC Name5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCCc3cccnc3)c2C)nc1-c1cccs1
InChIInChI=1S/C21H20N6OS/c1-14-11-24-21(26-19(14)18-6-4-10-29-18)27-15(2)17(13-25-27)20(28)23-9-7-16-5-3-8-22-12-16/h3-6,8,10-13H,7,9H2,1-2H3,(H,23,28)
InChIKeyQYENSQJWEHPUJA-UHFFFAOYSA-N
XLogP3.38
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide (CID 42376608) is 5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)NCCc3cccnc3)c2C)nc1-c1cccs1.
What is the InChIKey of 5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The InChIKey is QYENSQJWEHPUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-14-11-24-21(26-19(14)18-6-4-10-29-18)27-15(2)17(13-25-27)20(28)23-9-7-16-5-3-8-22-12-16/h3-6,8,10-13H,7,9H2,1-2H3,(H,23,28).
What are the key properties of 5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42376608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).