[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea

C12H11F3N4O — CID 141484570

IUPAC[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
SMILESCn1nccc1-c1ccc(C(F)(F)F)cc1NC(N)=O
InChIInChI=1S/C12H11F3N4O/c1-19-10(4-5-17-19)8-3-2-7(12(13,14)15)6-9(8)18-11(16)20/h2-6H,1H3,(H3,16,18,20)
InChIKeyNMXYUXBQAXPNTQ-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.60
Rot. Bonds2

About [2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea

[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea (PubChem CID 141484570) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is [2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
PubChem CID141484570
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
SMILESCn1nccc1-c1ccc(C(F)(F)F)cc1NC(N)=O
InChIInChI=1S/C12H11F3N4O/c1-19-10(4-5-17-19)8-3-2-7(12(13,14)15)6-9(8)18-11(16)20/h2-6H,1H3,(H3,16,18,20)
InChIKeyNMXYUXBQAXPNTQ-UHFFFAOYSA-N
XLogP2.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea
CID 141484585
1-[2-[4-(2-amino-5-fluoro-3-pyridinyl)phenoxy]pyrimidin-5-yl]-3-[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
CID 118596611
[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea
CID 141484569
4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)benzoic acid
CID 171393077
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
2-amino-5-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid
CID 151139228
[5-(trifluoromethyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]urea
CID 141484568
N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 24889856
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330823
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359614
4-tert-butyl-2-(2-methylpyrazol-3-yl)aniline
CID 135331486
[2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid
CID 90912923

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of [2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea (CID 141484570) is [2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea is Cn1nccc1-c1ccc(C(F)(F)F)cc1NC(N)=O.
What is the InChIKey of [2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea?
The InChIKey is NMXYUXBQAXPNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-19-10(4-5-17-19)8-3-2-7(12(13,14)15)6-9(8)18-11(16)20/h2-6H,1H3,(H3,16,18,20).
What are the key properties of [2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea?
[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea has a molecular weight of 284.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 141484570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).