[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium

C19H27N4O3+ — CID 2533705

About [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium

[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 2533705) has the molecular formula C19H27N4O3+ and a molecular weight of 359.45 g/mol. Its IUPAC name is [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

• Compound Name: [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium
• PubChem CID: 2533705
• Molecular Formula: C19H27N4O3+
• Molecular Weight: 359.45 g/mol
• Exact Mass: 359.21
• IUPAC Name: [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium
• SMILES: Cc1c(NC(=O)[C@@H](C)[NH2+]C[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C19H26N4O3/c1-13(20-12-16-10-7-11-26-16)18(24)21-17-14(2)22(3)23(19(17)25)15-8-5-4-6-9-15/h4-6,8-9,13,16,20H,7,10-12H2,1-3H3,(H,21,24)/p+1/t13-,16-/m1/s1
• InChIKey: HUCRMEGWVILSTP-CZUORRHYSA-O
• XLogP: 0.55
• TPSA: 81.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.45
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium?

The IUPAC name of [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium (CID 2533705) is [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium.

What is the SMILES notation for [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium?

The canonical SMILES for [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium is Cc1c(NC(=O)[C@@H](C)[NH2+]C[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium?

The InChIKey is HUCRMEGWVILSTP-CZUORRHYSA-O. The full InChI is InChI=1S/C19H26N4O3/c1-13(20-12-16-10-7-11-26-16)18(24)21-17-14(2)22(3)23(19(17)25)15-8-5-4-6-9-15/h4-6,8-9,13,16,20H,7,10-12H2,1-3H3,(H,21,24)/p+1/t13-,16-/m1/s1.

What are the key properties of [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium?

[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 359.45 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 2533705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).