phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid

C17H14F3N3O3 — CID 118040649

IUPACphenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid
SMILESO=C(O)Nc1cc(C(F)(F)F)n(-c2ccccc2)n1.Oc1ccccc1
InChIInChI=1S/C11H8F3N3O2.C6H6O/c12-11(13,14)8-6-9(15-10(18)19)16-17(8)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-6H,(H,15,16)(H,18,19);1-5,7H
InChIKeyHJRHXTREIUEOBP-UHFFFAOYSA-N
MW365.31 g/mol
LogP4.37
Rot. Bonds2

About phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid

phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid (PubChem CID 118040649) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid.

Molecular Properties

Compound Namephenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid
PubChem CID118040649
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Namephenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid
SMILESO=C(O)Nc1cc(C(F)(F)F)n(-c2ccccc2)n1.Oc1ccccc1
InChIInChI=1S/C11H8F3N3O2.C6H6O/c12-11(13,14)8-6-9(15-10(18)19)16-17(8)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-6H,(H,15,16)(H,18,19);1-5,7H
InChIKeyHJRHXTREIUEOBP-UHFFFAOYSA-N
XLogP4.37
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 82362108
2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetaldehyde
CID 125484858
4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 18449039
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide
CID 5302319
3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide
CID 110026421
1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 22250323
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide
CID 10202049
N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane
CID 143534019
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzaldehyde
CID 18449041
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56844199

Frequently Asked Questions

What is the IUPAC name of phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid?
The IUPAC name of phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid (CID 118040649) is phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid.
What is the SMILES notation for phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid?
The canonical SMILES for phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid is O=C(O)Nc1cc(C(F)(F)F)n(-c2ccccc2)n1.Oc1ccccc1.
What is the InChIKey of phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid?
The InChIKey is HJRHXTREIUEOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2.C6H6O/c12-11(13,14)8-6-9(15-10(18)19)16-17(8)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-6H,(H,15,16)(H,18,19);1-5,7H.
What are the key properties of phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid?
phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid has a molecular weight of 365.31 g/mol, XLogP of 4.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid is sourced from PubChem (CID 118040649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).