tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate

C24H30N4O3 — CID 91234816

About tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate

tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate (PubChem CID 91234816) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate
• PubChem CID: 91234816
• Molecular Formula: C24H30N4O3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.23
• IUPAC Name: tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate
• SMILES: COc1ccc(-n2nc(C(C)C)cc2-c2ccc(CNC(=O)OC(C)(C)C)cc2)cn1
• InChI: InChI=1S/C24H30N4O3/c1-16(2)20-13-21(28(27-20)19-11-12-22(30-6)25-15-19)18-9-7-17(8-10-18)14-26-23(29)31-24(3,4)5/h7-13,15-16H,14H2,1-6H3,(H,26,29)
• InChIKey: SALYJTBSUUELKT-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate?

The IUPAC name of tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate (CID 91234816) is tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate is COc1ccc(-n2nc(C(C)C)cc2-c2ccc(CNC(=O)OC(C)(C)C)cc2)cn1.

What is the InChIKey of tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate?

The InChIKey is SALYJTBSUUELKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16(2)20-13-21(28(27-20)19-11-12-22(30-6)25-15-19)18-9-7-17(8-10-18)14-26-23(29)31-24(3,4)5/h7-13,15-16H,14H2,1-6H3,(H,26,29).

What are the key properties of tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate?

tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate has a molecular weight of 422.53 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 91234816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).