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

C24H30N4O3 — CID 91346211

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

[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate (PubChem CID 91346211) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is [4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate.

Molecular Properties

• Compound Name: [4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate
• PubChem CID: 91346211
• Molecular Formula: C24H30N4O3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.23
• IUPAC Name: [4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate
• SMILES: COc1ccc(-n2nc(C(C)C)cc2-c2ccc(COC(=O)NC(C)(C)C)cc2)cn1
• InChI: InChI=1S/C24H30N4O3/c1-16(2)20-13-21(28(27-20)19-11-12-22(30-6)25-14-19)18-9-7-17(8-10-18)15-31-23(29)26-24(3,4)5/h7-14,16H,15H2,1-6H3,(H,26,29)
• InChIKey: JZLCNSGNSOXOGP-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 [4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate?

The IUPAC name of [4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate (CID 91346211) is [4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate.

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

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

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

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

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

[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate 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 [4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 91346211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).