1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea

C18H15F3N4O2 — CID 2812809

IUPAC1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H15F3N4O2/c1-27-15-5-3-2-4-14(15)23-17(26)22-12-6-8-13(9-7-12)25-11-10-16(24-25)18(19,20)21/h2-11H,1H3,(H2,22,23,26)
InChIKeyYWIOUPMFCNIXTP-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.54
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea

1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea (PubChem CID 2812809) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
PubChem CID2812809
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H15F3N4O2/c1-27-15-5-3-2-4-14(15)23-17(26)22-12-6-8-13(9-7-12)25-11-10-16(24-25)18(19,20)21/h2-11H,1H3,(H2,22,23,26)
InChIKeyYWIOUPMFCNIXTP-UHFFFAOYSA-N
XLogP4.54
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-Methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 24959760
1-[2-(2-Phenyl-2H-pyrazol-3-yloxy)-phenyl]-3-(4-trifluoromethoxy-phenyl)-urea
CID 44449165
1-[2-[2-(2-Methoxyphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 44449195
1-[4-(4-Butyltriazol-1-yl)phenyl]-3-(2-cyclopentyloxyphenyl)urea
CID 168299311
1-(2-Cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
CID 2103175
1-(4-Fluorophenyl)-3-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]urea
CID 44449075
1-[1-Phenyl-5-(trifluoromethyl)pyrazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2807985
1-[2-(5-Ethyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 44449166
[4-[2-(2-Methoxyphenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 69675875
1-[2-(5-Methyl-2-pyridin-3-ylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 44448868
1-[1-[2-(Diethylamino)ethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea
CID 45833342
3-(2-Ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 51085394

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea (CID 2812809) is 1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea is COc1ccccc1NC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The InChIKey is YWIOUPMFCNIXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-27-15-5-3-2-4-14(15)23-17(26)22-12-6-8-13(9-7-12)25-11-10-16(24-25)18(19,20)21/h2-11H,1H3,(H2,22,23,26).
What are the key properties of 1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea has a molecular weight of 376.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea is sourced from PubChem (CID 2812809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).