N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide

C29H35N3O5 — CID 26326345

About N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide

N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide (PubChem CID 26326345) has the molecular formula C29H35N3O5 and a molecular weight of 505.62 g/mol. Its IUPAC name is N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

• Compound Name: N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide
• PubChem CID: 26326345
• Molecular Formula: C29H35N3O5
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.26
• IUPAC Name: N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide
• SMILES: COc1cc(CN(C(=O)c2ccc(-n3cccn3)cc2)C2CCCC2)cc(OC)c1OC[C@@H]1CCCO1
• InChI: InChI=1S/C29H35N3O5/c1-34-26-17-21(18-27(35-2)28(26)37-20-25-9-5-16-36-25)19-31(23-7-3-4-8-23)29(33)22-10-12-24(13-11-22)32-15-6-14-30-32/h6,10-15,17-18,23,25H,3-5,7-9,16,19-20H2,1-2H3/t25-/m0/s1
• InChIKey: OWZLHUYJMWQRQX-VWLOTQADSA-N
• XLogP: 5.03
• TPSA: 75.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide?

The IUPAC name of N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide (CID 26326345) is N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide.

What is the SMILES notation for N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide?

The canonical SMILES for N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide is COc1cc(CN(C(=O)c2ccc(-n3cccn3)cc2)C2CCCC2)cc(OC)c1OC[C@@H]1CCCO1.

What is the InChIKey of N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide?

The InChIKey is OWZLHUYJMWQRQX-VWLOTQADSA-N. The full InChI is InChI=1S/C29H35N3O5/c1-34-26-17-21(18-27(35-2)28(26)37-20-25-9-5-16-36-25)19-31(23-7-3-4-8-23)29(33)22-10-12-24(13-11-22)32-15-6-14-30-32/h6,10-15,17-18,23,25H,3-5,7-9,16,19-20H2,1-2H3/t25-/m0/s1.

What are the key properties of N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide?

N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 505.62 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 26326345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).