(2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide

C19H25ClN4O2 — CID 9152102

About (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide

(2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide (PubChem CID 9152102) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide.

Molecular Properties

• Compound Name: (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide
• PubChem CID: 9152102
• Molecular Formula: C19H25ClN4O2
• Molecular Weight: 376.89 g/mol
• Exact Mass: 376.17
• IUPAC Name: (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide
• SMILES: Cc1nn(C)c(C)c1NC(=O)CNC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C
• InChI: InChI=1S/C19H25ClN4O2/c1-11(2)17(14-6-8-15(20)9-7-14)19(26)21-10-16(25)22-18-12(3)23-24(5)13(18)4/h6-9,11,17H,10H2,1-5H3,(H,21,26)(H,22,25)/t17-/m1/s1
• InChIKey: VQDXPJWIDIUEFB-QGZVFWFLSA-N
• XLogP: 3.18
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.89
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide?

The IUPAC name of (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide (CID 9152102) is (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide.

What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide?

The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide is Cc1nn(C)c(C)c1NC(=O)CNC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C.

What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide?

The InChIKey is VQDXPJWIDIUEFB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-11(2)17(14-6-8-15(20)9-7-14)19(26)21-10-16(25)22-18-12(3)23-24(5)13(18)4/h6-9,11,17H,10H2,1-5H3,(H,21,26)(H,22,25)/t17-/m1/s1.

What are the key properties of (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide?

(2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide has a molecular weight of 376.89 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-chlorophenyl)-3-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]butanamide is sourced from PubChem (CID 9152102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).