1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea

C14H15F3N4O — CID 970204

IUPAC1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N4O/c1-8-12(9(2)21(3)20-8)19-13(22)18-11-6-4-5-10(7-11)14(15,16)17/h4-7H,1-3H3,(H2,18,19,22)
InChIKeyMEGOXHHJOPYFRE-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.70
Rot. Bonds2

About 1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea

1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 970204) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID970204
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N4O/c1-8-12(9(2)21(3)20-8)19-13(22)18-11-6-4-5-10(7-11)14(15,16)17/h4-7H,1-3H3,(H2,18,19,22)
InChIKeyMEGOXHHJOPYFRE-UHFFFAOYSA-N
XLogP3.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
N-benzyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 653962
1-(2,4-difluorophenyl)-3-[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl]urea
CID 44589665
1-(3-acetylphenyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)urea
CID 2206437
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
1-(4-Fluoro-3-methylphenyl)-3-[3-(2-methylcyclopropyl)-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]urea
CID 118715851
1-(1-methyl-1H-benzotriazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 894378
1-(2,5-Dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea
CID 2811730
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea
CID 3793280
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroacetamide
CID 4449954
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-phenyl-5-propylpyrazol-4-yl)urea
CID 2808000

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea (CID 970204) is 1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea is Cc1nn(C)c(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is MEGOXHHJOPYFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-8-12(9(2)21(3)20-8)19-13(22)18-11-6-4-5-10(7-11)14(15,16)17/h4-7H,1-3H3,(H2,18,19,22).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 312.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 970204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).