2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea

C19H16F4N4O — CID 58806649

IUPAC2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea
SMILESNC(=O)NCCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16F4N4O/c20-14-5-7-15(8-6-14)27-16(11-17(26-27)19(21,22)23)13-3-1-12(2-4-13)9-10-25-18(24)28/h1-8,11H,9-10H2,(H3,24,25,28)
InChIKeyJGUXKRUZYOEBAL-UHFFFAOYSA-N
MW392.36 g/mol
LogP3.91
Rot. Bonds5

About 2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea

2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea (PubChem CID 58806649) has the molecular formula C19H16F4N4O and a molecular weight of 392.36 g/mol. Its IUPAC name is 2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea.

Molecular Properties

Compound Name2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea
PubChem CID58806649
Molecular FormulaC19H16F4N4O
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC Name2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea
SMILESNC(=O)NCCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16F4N4O/c20-14-5-7-15(8-6-14)27-16(11-17(26-27)19(21,22)23)13-3-1-12(2-4-13)9-10-25-18(24)28/h1-8,11H,9-10H2,(H3,24,25,28)
InChIKeyJGUXKRUZYOEBAL-UHFFFAOYSA-N
XLogP3.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812810
n-({4-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]phenyl}methyl)propanamide
CID 50992932
1-benzyl-3-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]urea
CID 26743431
1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea
CID 28960230
1-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-3-propan-2-ylurea
CID 40777669
1h-Pyrazolo[4,3-c]pyridine,1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-,hydrochloride
CID 45265710
1-[[1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162663696
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-phenyl-5-propylpyrazol-4-yl)urea
CID 2808000
N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]acetamide
CID 50992933
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 25106146
N-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetamide
CID 25106224
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 25106308

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea?
The IUPAC name of 2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea (CID 58806649) is 2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea.
What is the SMILES notation for 2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea?
The canonical SMILES for 2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea is NC(=O)NCCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea?
The InChIKey is JGUXKRUZYOEBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O/c20-14-5-7-15(8-6-14)27-16(11-17(26-27)19(21,22)23)13-3-1-12(2-4-13)9-10-25-18(24)28/h1-8,11H,9-10H2,(H3,24,25,28).
What are the key properties of 2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea?
2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea has a molecular weight of 392.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethylurea is sourced from PubChem (CID 58806649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).