1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide

C20H24N6O — CID 72933838

IUPAC1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NC(C)c2cnc(-c3ccncc3)nc2C)c1C
InChIInChI=1S/C20H24N6O/c1-6-26-15(5)18(14(4)25-26)20(27)24-13(3)17-11-22-19(23-12(17)2)16-7-9-21-10-8-16/h7-11,13H,6H2,1-5H3,(H,24,27)
InChIKeyIRWMAKUCXQSJHM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.17
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide

1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 72933838) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide
PubChem CID72933838
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NC(C)c2cnc(-c3ccncc3)nc2C)c1C
InChIInChI=1S/C20H24N6O/c1-6-26-15(5)18(14(4)25-26)20(27)24-13(3)17-11-22-19(23-12(17)2)16-7-9-21-10-8-16/h7-11,13H,6H2,1-5H3,(H,24,27)
InChIKeyIRWMAKUCXQSJHM-UHFFFAOYSA-N
XLogP3.17
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide (CID 72933838) is 1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide is CCn1nc(C)c(C(=O)NC(C)c2cnc(-c3ccncc3)nc2C)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is IRWMAKUCXQSJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-6-26-15(5)18(14(4)25-26)20(27)24-13(3)17-11-22-19(23-12(17)2)16-7-9-21-10-8-16/h7-11,13H,6H2,1-5H3,(H,24,27).
What are the key properties of 1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide?
1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 72933838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).