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

C25H31N5O2 — CID 71041379

IUPAC1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
SMILESCCn1nc(-c2ccccc2)cc1NC(=O)N[C@@H]1CN(CCOC)CC1c1ccccc1
InChIInChI=1S/C25H31N5O2/c1-3-30-24(16-22(28-30)20-12-8-5-9-13-20)27-25(31)26-23-18-29(14-15-32-2)17-21(23)19-10-6-4-7-11-19/h4-13,16,21,23H,3,14-15,17-18H2,1-2H3,(H2,26,27,31)/t21?,23-/m1/s1
InChIKeyFEBWOYIPJAKVIF-JFGZAKSSSA-N
MW433.56 g/mol
LogP3.81
Rot. Bonds8

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

1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea (PubChem CID 71041379) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
PubChem CID71041379
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
SMILESCCn1nc(-c2ccccc2)cc1NC(=O)N[C@@H]1CN(CCOC)CC1c1ccccc1
InChIInChI=1S/C25H31N5O2/c1-3-30-24(16-22(28-30)20-12-8-5-9-13-20)27-25(31)26-23-18-29(14-15-32-2)17-21(23)19-10-6-4-7-11-19/h4-13,16,21,23H,3,14-15,17-18H2,1-2H3,(H2,26,27,31)/t21?,23-/m1/s1
InChIKeyFEBWOYIPJAKVIF-JFGZAKSSSA-N
XLogP3.81
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-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-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea (CID 71041379) is 1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea is CCn1nc(-c2ccccc2)cc1NC(=O)N[C@@H]1CN(CCOC)CC1c1ccccc1.
What is the InChIKey of 1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
The InChIKey is FEBWOYIPJAKVIF-JFGZAKSSSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-3-30-24(16-22(28-30)20-12-8-5-9-13-20)27-25(31)26-23-18-29(14-15-32-2)17-21(23)19-10-6-4-7-11-19/h4-13,16,21,23H,3,14-15,17-18H2,1-2H3,(H2,26,27,31)/t21?,23-/m1/s1.
What are the key properties of 1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea?
1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea has a molecular weight of 433.56 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-phenylpyrazol-5-yl)-3-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 71041379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).