1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea

C11H9F3N4O — CID 61394455

IUPAC1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccn[nH]1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)7-3-1-2-4-8(7)16-10(19)17-9-5-6-15-18-9/h1-6H,(H3,15,16,17,18,19)
InChIKeyZAXIKKINCPIHEA-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.07
Rot. Bonds2

About 1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea

1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 61394455) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID61394455
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccn[nH]1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)7-3-1-2-4-8(7)16-10(19)17-9-5-6-15-18-9/h1-6H,(H3,15,16,17,18,19)
InChIKeyZAXIKKINCPIHEA-UHFFFAOYSA-N
XLogP3.07
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 99799726
2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
CID 79885826
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
1-carbamothioyl-3-[2-(trifluoromethyl)phenyl]urea
CID 134125791
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 971367
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 67279636
N-(1H-pyrazol-5-yl)benzamide
CID 23298723

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea (CID 61394455) is 1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccn[nH]1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ZAXIKKINCPIHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)7-3-1-2-4-8(7)16-10(19)17-9-5-6-15-18-9/h1-6H,(H3,15,16,17,18,19).
What are the key properties of 1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 270.21 g/mol, XLogP of 3.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 61394455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).