1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea

C30H37N7O2 — CID 145013489

About 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea

1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (PubChem CID 145013489) has the molecular formula C30H37N7O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

• Compound Name: 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
• PubChem CID: 145013489
• Molecular Formula: C30H37N7O2
• Molecular Weight: 527.67 g/mol
• Exact Mass: 527.30
• IUPAC Name: 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
• SMILES: COCCN1C[C@@H](CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@](C)(c2ccccc2)C1
• InChI: InChI=1S/C30H37N7O2/c1-22-27(23-17-32-35(3)19-23)34-37(26-13-9-6-10-14-26)28(22)33-29(38)31-18-25-20-36(15-16-39-4)21-30(25,2)24-11-7-5-8-12-24/h5-14,17,19,25H,15-16,18,20-21H2,1-4H3,(H2,31,33,38)/t25-,30+/m1/s1
• InChIKey: HVZCFGXLQFCNSQ-RNAHPLFWSA-N
• XLogP: 4.24
• TPSA: 89.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.67
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?

The IUPAC name of 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (CID 145013489) is 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.

What is the SMILES notation for 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?

The canonical SMILES for 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is COCCN1C[C@@H](CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@](C)(c2ccccc2)C1.

What is the InChIKey of 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?

The InChIKey is HVZCFGXLQFCNSQ-RNAHPLFWSA-N. The full InChI is InChI=1S/C30H37N7O2/c1-22-27(23-17-32-35(3)19-23)34-37(26-13-9-6-10-14-26)28(22)33-29(38)31-18-25-20-36(15-16-39-4)21-30(25,2)24-11-7-5-8-12-24/h5-14,17,19,25H,15-16,18,20-21H2,1-4H3,(H2,31,33,38)/t25-,30+/m1/s1.

What are the key properties of 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?

1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 527.67 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(3R,4R)-1-(2-methoxyethyl)-4-methyl-4-phenylpyrrolidin-3-yl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 145013489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).