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

C16H24N4OS — CID 70725774

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N(C)Cc1csc(C(C)C)n1
InChIInChI=1S/C16H24N4OS/c1-10(2)16-17-13(9-22-16)8-20(5)15(21)7-6-14-11(3)18-19-12(14)4/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyOBNBNOQJPUJXAN-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.20
Rot. Bonds6

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 70725774) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID70725774
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N(C)Cc1csc(C(C)C)n1
InChIInChI=1S/C16H24N4OS/c1-10(2)16-17-13(9-22-16)8-20(5)15(21)7-6-14-11(3)18-19-12(14)4/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyOBNBNOQJPUJXAN-UHFFFAOYSA-N
XLogP3.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 70725774) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is Cc1n[nH]c(C)c1CCC(=O)N(C)Cc1csc(C(C)C)n1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is OBNBNOQJPUJXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-10(2)16-17-13(9-22-16)8-20(5)15(21)7-6-14-11(3)18-19-12(14)4/h9-10H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 320.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 70725774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).