1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea

C12H11F3N4O2 — CID 2808863

IUPAC1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCn1nccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N4O2/c1-19-10(6-7-16-19)18-11(20)17-8-2-4-9(5-3-8)21-12(13,14)15/h2-7H,1H3,(H2,17,18,20)
InChIKeyAEYHODPQCVJHNO-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.96
Rot. Bonds3

About 1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 2808863) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID2808863
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCn1nccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N4O2/c1-19-10(6-7-16-19)18-11(20)17-8-2-4-9(5-3-8)21-12(13,14)15/h2-7H,1H3,(H2,17,18,20)
InChIKeyAEYHODPQCVJHNO-UHFFFAOYSA-N
XLogP2.96
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Fpl 62064
CID 128268
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-phenoxy-phenyl)-urea
CID 17941443
N-(4-bromo-1-methyl-1H-pyrazol-5-yl)-N'-[4-(trifluoromethoxy)phenyl]urea
CID 2808956
1-[4-(4-Amino-phenoxy)-phenyl]-3-(5-tert-butyl-2-methyl-2H-pyrazol-3-yl)-urea
CID 44286342
1-(2-Cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
CID 2103175
1-[1-Benzyl-3-(2,2-difluorocyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea
CID 118715839
1-(5-Tert-butyl-2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 2822413
3-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 706388
1-(4-Methoxyphenyl)-1H-pyrazol-3-amine
CID 16740655
1-(4-Methoxyphenyl)-1H-pyrazol-5-amine
CID 21812829
1-(2-Methyl-5-phenylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 2815273
1-(3-Cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 2820650

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 2808863) is 1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea is Cn1nccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is AEYHODPQCVJHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-19-10(6-7-16-19)18-11(20)17-8-2-4-9(5-3-8)21-12(13,14)15/h2-7H,1H3,(H2,17,18,20).
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 300.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 2808863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).