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

C25H31N5O2 — CID 71041478

IUPAC1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(C)nn2-c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C25H31N5O2/c1-18-19(2)28-30(21-12-8-5-9-13-21)24(18)27-25(31)26-23-17-29(14-15-32-3)16-22(23)20-10-6-4-7-11-20/h4-13,22-23H,14-17H2,1-3H3,(H2,26,27,31)/t22-,23+/m0/s1
InChIKeyQWPDFUBEBYMDJW-XZOQPEGZSA-N
MW433.56 g/mol
LogP3.73
Rot. Bonds7

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

1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea (PubChem CID 71041478) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
PubChem CID71041478
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(C)nn2-c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C25H31N5O2/c1-18-19(2)28-30(21-12-8-5-9-13-21)24(18)27-25(31)26-23-17-29(14-15-32-3)16-22(23)20-10-6-4-7-11-20/h4-13,22-23H,14-17H2,1-3H3,(H2,26,27,31)/t22-,23+/m0/s1
InChIKeyQWPDFUBEBYMDJW-XZOQPEGZSA-N
XLogP3.73
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea (CID 71041478) is 1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea is COCCN1C[C@@H](NC(=O)Nc2c(C)c(C)nn2-c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of 1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The InChIKey is QWPDFUBEBYMDJW-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-18-19(2)28-30(21-12-8-5-9-13-21)24(18)27-25(31)26-23-17-29(14-15-32-3)16-22(23)20-10-6-4-7-11-20/h4-13,22-23H,14-17H2,1-3H3,(H2,26,27,31)/t22-,23+/m0/s1.
What are the key properties of 1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea has a molecular weight of 433.56 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 71041478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).