1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea

C34H38F3N5O3 — CID 42817603

IUPAC1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C34H38F3N5O3/c1-23-4-7-26(8-5-23)31-21-30(27-9-6-24(2)25(3)20-27)39-42(31)32(43)22-41(15-14-40-16-18-45-19-17-40)33(44)38-29-12-10-28(11-13-29)34(35,36)37/h4-13,20,31H,14-19,21-22H2,1-3H3,(H,38,44)
InChIKeyQZZOEIFAVYTGKY-UHFFFAOYSA-N
MW621.70 g/mol
LogP6.17
Rot. Bonds8

About 1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea

1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 42817603) has the molecular formula C34H38F3N5O3 and a molecular weight of 621.70 g/mol. Its IUPAC name is 1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID42817603
Molecular FormulaC34H38F3N5O3
Molecular Weight621.70 g/mol
Exact Mass621.29
IUPAC Name1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C34H38F3N5O3/c1-23-4-7-26(8-5-23)31-21-30(27-9-6-24(2)25(3)20-27)39-42(31)32(43)22-41(15-14-40-16-18-45-19-17-40)33(44)38-29-12-10-28(11-13-29)34(35,36)37/h4-13,20,31H,14-19,21-22H2,1-3H3,(H,38,44)
InChIKeyQZZOEIFAVYTGKY-UHFFFAOYSA-N
XLogP6.17
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.70
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-(4-morpholin-4-yl-3-trifluoromethyl-phenyl)-ethyl]-acetamide
CID 44347950
N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134135105
2-(4-(5-(p-Fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenylamino)-1,2-dimorpholinoethanone
CID 139222423
2-[4-[(5S)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone
CID 139222440
1-[5-(3,4-Dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 42844606
1-[5-(2,5-Dimethylphenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-[4-(2-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 46031108
1-[3-(3,4-Dimethylphenyl)-5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-[4-(2-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 46031181
1-[3-(2,5-Dimethylphenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-[4-(2-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 46031512
1-[5-(2,4-Dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-[4-(2-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 46031621
1-[(3S)-5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 93229486
N-[4-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]phenyl]morpholine-4-carboxamide
CID 12979291
1-[5-(2,4-Dimethylphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanone
CID 141659871

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 42817603) is 1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea is Cc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is QZZOEIFAVYTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F3N5O3/c1-23-4-7-26(8-5-23)31-21-30(27-9-6-24(2)25(3)20-27)39-42(31)32(43)22-41(15-14-40-16-18-45-19-17-40)33(44)38-29-12-10-28(11-13-29)34(35,36)37/h4-13,20,31H,14-19,21-22H2,1-3H3,(H,38,44).
What are the key properties of 1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 621.70 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 42817603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).