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

C19H21ClN4OS — CID 45154227

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nn(CC(C)C(=O)NCc2csc(-c3ccccc3)n2)c(C)c1Cl
InChIInChI=1S/C19H21ClN4OS/c1-12(10-24-14(3)17(20)13(2)23-24)18(25)21-9-16-11-26-19(22-16)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3,(H,21,25)
InChIKeyWPWBHAXSKDGDTK-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.23
Rot. Bonds6

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

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 45154227) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID45154227
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nn(CC(C)C(=O)NCc2csc(-c3ccccc3)n2)c(C)c1Cl
InChIInChI=1S/C19H21ClN4OS/c1-12(10-24-14(3)17(20)13(2)23-24)18(25)21-9-16-11-26-19(22-16)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3,(H,21,25)
InChIKeyWPWBHAXSKDGDTK-UHFFFAOYSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (CID 45154227) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nn(CC(C)C(=O)NCc2csc(-c3ccccc3)n2)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is WPWBHAXSKDGDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-12(10-24-14(3)17(20)13(2)23-24)18(25)21-9-16-11-26-19(22-16)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3,(H,21,25).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 388.92 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 45154227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).