carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide

C28H33N7O5 — CID 69464866

About carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide

carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide (PubChem CID 69464866) has the molecular formula C28H33N7O5 and a molecular weight of 547.62 g/mol. Its IUPAC name is carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide.

Molecular Properties

• Compound Name: carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide
• PubChem CID: 69464866
• Molecular Formula: C28H33N7O5
• Molecular Weight: 547.62 g/mol
• Exact Mass: 547.25
• IUPAC Name: carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide
• SMILES: CNCC(=O)Nc1cnn(C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1.NC(=O)O.NC(=O)O
• InChI: InChI=1S/C26H27N5O.2CH3NO2/c1-27-19-24(32)29-23-18-28-31(2)25(23)30-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;2*2-1(3)4/h3-18,27,30H,19H2,1-2H3,(H,29,32);2*2H2,(H,3,4)
• InChIKey: BVZNOMRBHCFZII-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 197.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.62
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide?

The IUPAC name of carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide (CID 69464866) is carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide.

What is the SMILES notation for carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide?

The canonical SMILES for carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide is CNCC(=O)Nc1cnn(C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1.NC(=O)O.NC(=O)O.

What is the InChIKey of carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide?

The InChIKey is BVZNOMRBHCFZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O.2CH3NO2/c1-27-19-24(32)29-23-18-28-31(2)25(23)30-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;2*2-1(3)4/h3-18,27,30H,19H2,1-2H3,(H,29,32);2*2H2,(H,3,4).

What are the key properties of carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide?

carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide has a molecular weight of 547.62 g/mol, XLogP of 3.23, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for carbamic acid;2-(methylamino)-N-[1-methyl-5-(tritylamino)pyrazol-4-yl]acetamide is sourced from PubChem (CID 69464866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).