1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea

C18H14F4N4O — CID 55696108

IUPAC1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H14F4N4O/c19-13-7-6-12(15(10-13)18(20,21)22)11-23-17(27)24-16-8-9-26(25-16)14-4-2-1-3-5-14/h1-10H,11H2,(H2,23,24,25,27)
InChIKeyHQSZXQZGOCBRMX-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.35
Rot. Bonds4

About 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea (PubChem CID 55696108) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea
PubChem CID55696108
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC Name1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H14F4N4O/c19-13-7-6-12(15(10-13)18(20,21)22)11-23-17(27)24-16-8-9-26(25-16)14-4-2-1-3-5-14/h1-10H,11H2,(H2,23,24,25,27)
InChIKeyHQSZXQZGOCBRMX-UHFFFAOYSA-N
XLogP4.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 135315885
2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
CID 47021837
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(2-piperidin-1-ylphenyl)urea
CID 55696395
2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 166185352
5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 55537358
2-(2,6-difluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135316122
1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pentan-3-ylurea
CID 78880942
2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315910
1-(1-phenylpyrazol-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 53499346
2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 46474679
1-[(2-chloro-4-fluorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 46887143

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea (CID 55696108) is 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea is O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea?
The InChIKey is HQSZXQZGOCBRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c19-13-7-6-12(15(10-13)18(20,21)22)11-23-17(27)24-16-8-9-26(25-16)14-4-2-1-3-5-14/h1-10H,11H2,(H2,23,24,25,27).
What are the key properties of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea?
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea has a molecular weight of 378.33 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 55696108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).