4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide

C23H26N4O3 — CID 99741786

About 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide

4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide (PubChem CID 99741786) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide
• PubChem CID: 99741786
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide
• SMILES: COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccc(OC)cc4C)C3)n[nH]2)cc1
• InChI: InChI=1S/C23H26N4O3/c1-15-12-19(30-3)8-9-20(15)23(28)24-17-10-11-27(14-17)22-13-21(25-26-22)16-4-6-18(29-2)7-5-16/h4-9,12-13,17H,10-11,14H2,1-3H3,(H,24,28)(H,25,26)/t17-/m0/s1
• InChIKey: YKRPNJDBUWDCIG-KRWDZBQOSA-N
• XLogP: 3.41
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide?

The IUPAC name of 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide (CID 99741786) is 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide.

What is the SMILES notation for 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide?

The canonical SMILES for 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide is COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccc(OC)cc4C)C3)n[nH]2)cc1.

What is the InChIKey of 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide?

The InChIKey is YKRPNJDBUWDCIG-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-12-19(30-3)8-9-20(15)23(28)24-17-10-11-27(14-17)22-13-21(25-26-22)16-4-6-18(29-2)7-5-16/h4-9,12-13,17H,10-11,14H2,1-3H3,(H,24,28)(H,25,26)/t17-/m0/s1.

What are the key properties of 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide?

4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide has a molecular weight of 406.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 99741786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).