1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea

C24H26FN5O — CID 55994231

IUPAC1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H26FN5O/c1-30(24(31)26-12-11-18-16-27-22-10-3-2-9-21(18)22)13-5-8-20-15-23(29-28-20)17-6-4-7-19(25)14-17/h2-4,6-7,9-10,14-16,27H,5,8,11-13H2,1H3,(H,26,31)(H,28,29)
InChIKeyYCGRHJGSUHWZJX-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.51
Rot. Bonds8

About 1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea

1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea (PubChem CID 55994231) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea
PubChem CID55994231
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H26FN5O/c1-30(24(31)26-12-11-18-16-27-22-10-3-2-9-21(18)22)13-5-8-20-15-23(29-28-20)17-6-4-7-19(25)14-17/h2-4,6-7,9-10,14-16,27H,5,8,11-13H2,1H3,(H,26,31)(H,28,29)
InChIKeyYCGRHJGSUHWZJX-UHFFFAOYSA-N
XLogP4.51
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 55975546
4-[[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]amino]butanoic acid
CID 122021510
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119744579
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
CID 87042708
3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea
CID 52511917
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046
1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
CID 110749017
(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide
CID 119744618
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
CID 122019002
1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 55994619
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(propanoylamino)benzamide
CID 55976193

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea?
The IUPAC name of 1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea (CID 55994231) is 1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea?
The canonical SMILES for 1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea is CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea?
The InChIKey is YCGRHJGSUHWZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-30(24(31)26-12-11-18-16-27-22-10-3-2-9-21(18)22)13-5-8-20-15-23(29-28-20)17-6-4-7-19(25)14-17/h2-4,6-7,9-10,14-16,27H,5,8,11-13H2,1H3,(H,26,31)(H,28,29).
What are the key properties of 1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea?
1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea has a molecular weight of 419.50 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea is sourced from PubChem (CID 55994231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).