N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide

C35H38N6O2 — CID 147346876

About N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide

N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide (PubChem CID 147346876) has the molecular formula C35H38N6O2 and a molecular weight of 574.73 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
• PubChem CID: 147346876
• Molecular Formula: C35H38N6O2
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.31
• IUPAC Name: N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
• SMILES: COCCN1C[C@@H](NC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2cccc(-c3ccccc3)c2)C1
• InChI: InChI=1S/C35H38N6O2/c1-25-33(41(30-15-8-5-9-16-30)38-35(25)29-21-36-39(2)22-29)20-34(42)37-32-24-40(17-18-43-3)23-31(32)28-14-10-13-27(19-28)26-11-6-4-7-12-26/h4-16,19,21-22,31-32H,17-18,20,23-24H2,1-3H3,(H,37,42)/t31-,32+/m0/s1
• InChIKey: DEPGUPXJTMQSEF-AJQTZOPKSA-N
• XLogP: 5.02
• TPSA: 77.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.73
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

The IUPAC name of N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide (CID 147346876) is N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide.

What is the SMILES notation for N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

The canonical SMILES for N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide is COCCN1C[C@@H](NC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2cccc(-c3ccccc3)c2)C1.

What is the InChIKey of N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

The InChIKey is DEPGUPXJTMQSEF-AJQTZOPKSA-N. The full InChI is InChI=1S/C35H38N6O2/c1-25-33(41(30-15-8-5-9-16-30)38-35(25)29-21-36-39(2)22-29)20-34(42)37-32-24-40(17-18-43-3)23-31(32)28-14-10-13-27(19-28)26-11-6-4-7-12-26/h4-16,19,21-22,31-32H,17-18,20,23-24H2,1-3H3,(H,37,42)/t31-,32+/m0/s1.

What are the key properties of N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide has a molecular weight of 574.73 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R)-1-(2-methoxyethyl)-4-(3-phenylphenyl)pyrrolidin-3-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 147346876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).