N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide

C20H24N4O4S — CID 50750943

IUPACN-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)[nH]n(-c3nc(C)c(C)s3)c2=O)c(OC)c1
InChIInChI=1S/C20H24N4O4S/c1-11-13(3)29-20(21-11)24-19(26)15(12(2)23-24)7-9-18(25)22-16-8-6-14(27-4)10-17(16)28-5/h6,8,10,23H,7,9H2,1-5H3,(H,22,25)
InChIKeyYHOILPBZOMGFLO-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.14
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide

N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide (PubChem CID 50750943) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
PubChem CID50750943
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)[nH]n(-c3nc(C)c(C)s3)c2=O)c(OC)c1
InChIInChI=1S/C20H24N4O4S/c1-11-13(3)29-20(21-11)24-19(26)15(12(2)23-24)7-9-18(25)22-16-8-6-14(27-4)10-17(16)28-5/h6,8,10,23H,7,9H2,1-5H3,(H,22,25)
InChIKeyYHOILPBZOMGFLO-UHFFFAOYSA-N
XLogP3.14
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide (CID 50750943) is N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide is COc1ccc(NC(=O)CCc2c(C)[nH]n(-c3nc(C)c(C)s3)c2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The InChIKey is YHOILPBZOMGFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-11-13(3)29-20(21-11)24-19(26)15(12(2)23-24)7-9-18(25)22-16-8-6-14(27-4)10-17(16)28-5/h6,8,10,23H,7,9H2,1-5H3,(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide has a molecular weight of 416.50 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 50750943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).