(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

C19H24N6OS — CID 7817411

About (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 7817411) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
• PubChem CID: 7817411
• Molecular Formula: C19H24N6OS
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.17
• IUPAC Name: (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
• SMILES: CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1n[nH]c(-c2ccc(C)cc2)n1
• InChI: InChI=1S/C19H24N6OS/c1-5-13(3)25-16(10-11-20-25)21-18(26)14(4)27-19-22-17(23-24-19)15-8-6-12(2)7-9-15/h6-11,13-14H,5H2,1-4H3,(H,21,26)(H,22,23,24)/t13-,14-/m1/s1
• InChIKey: PSGUYAPNADPFOP-ZIAGYGMSSA-N
• XLogP: 4.07
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide?

The IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 7817411) is (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide.

What is the SMILES notation for (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide?

The canonical SMILES for (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide is CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1n[nH]c(-c2ccc(C)cc2)n1.

What is the InChIKey of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide?

The InChIKey is PSGUYAPNADPFOP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-5-13(3)25-16(10-11-20-25)21-18(26)14(4)27-19-22-17(23-24-19)15-8-6-12(2)7-9-15/h6-11,13-14H,5H2,1-4H3,(H,21,26)(H,22,23,24)/t13-,14-/m1/s1.

What are the key properties of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide?

(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 384.51 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 7817411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).