2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide

C22H20N4OS — CID 2101001

IUPAC2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide
SMILESCC(C)C(=O)Nc1c(-c2nc(-c3ccccc3)cs2)cnn1-c1ccccc1
InChIInChI=1S/C22H20N4OS/c1-15(2)21(27)25-20-18(13-23-26(20)17-11-7-4-8-12-17)22-24-19(14-28-22)16-9-5-3-6-10-16/h3-15H,1-2H3,(H,25,27)
InChIKeyXEJRDNUGAHLIEM-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.26
Rot. Bonds5

About 2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide

2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide (PubChem CID 2101001) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide
PubChem CID2101001
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide
SMILESCC(C)C(=O)Nc1c(-c2nc(-c3ccccc3)cs2)cnn1-c1ccccc1
InChIInChI=1S/C22H20N4OS/c1-15(2)21(27)25-20-18(13-23-26(20)17-11-7-4-8-12-17)22-24-19(14-28-22)16-9-5-3-6-10-16/h3-15H,1-2H3,(H,25,27)
InChIKeyXEJRDNUGAHLIEM-UHFFFAOYSA-N
XLogP5.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide (CID 2101001) is 2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide is CC(C)C(=O)Nc1c(-c2nc(-c3ccccc3)cs2)cnn1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide?
The InChIKey is XEJRDNUGAHLIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-15(2)21(27)25-20-18(13-23-26(20)17-11-7-4-8-12-17)22-24-19(14-28-22)16-9-5-3-6-10-16/h3-15H,1-2H3,(H,25,27).
What are the key properties of 2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide?
2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide has a molecular weight of 388.50 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-phenyl-4-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 2101001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).