(4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C17H13F4N3O2 — CID 3298972

IUPAC(4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESNc1ccc(C(=O)N2N=C(c3ccc(F)cc3)CC2(O)C(F)(F)F)cc1
InChIInChI=1S/C17H13F4N3O2/c18-12-5-1-10(2-6-12)14-9-16(26,17(19,20)21)24(23-14)15(25)11-3-7-13(22)8-4-11/h1-8,26H,9,22H2
InChIKeyUNFJRENZEAOWKK-UHFFFAOYSA-N
MW367.30 g/mol
LogP2.91
Rot. Bonds2

About (4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

(4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 3298972) has the molecular formula C17H13F4N3O2 and a molecular weight of 367.30 g/mol. Its IUPAC name is (4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID3298972
Molecular FormulaC17H13F4N3O2
Molecular Weight367.30 g/mol
Exact Mass367.09
IUPAC Name(4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESNc1ccc(C(=O)N2N=C(c3ccc(F)cc3)CC2(O)C(F)(F)F)cc1
InChIInChI=1S/C17H13F4N3O2/c18-12-5-1-10(2-6-12)14-9-16(26,17(19,20)21)24(23-14)15(25)11-3-7-13(22)8-4-11/h1-8,26H,9,22H2
InChIKeyUNFJRENZEAOWKK-UHFFFAOYSA-N
XLogP2.91
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl)[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
CID 3579517
AC1Mepnb
CID 2859117
N-[4-(N-benzoylethanehydrazonoyl)phenyl]-2,2,2-trifluoroacetamide
CID 5412073
1-benzoyl-3-(4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 6615377
[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 2858901
(4-aminophenyl)[5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
CID 3113630
[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone
CID 6615353
N-[4-[5-hydroxy-1-(2-phenylacetyl)-5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]acetamide
CID 145962636
2,2,2-trifluoro-N-[3-[5-hydroxy-1-(2-phenylacetyl)-5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]acetamide
CID 145963204
3-(4-fluorophenyl)-1-(2-methylbenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 6615346
1-[4-(Dimethylamino)benzoyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL
CID 3142709
[4-(dimethylamino)phenyl][5-hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
CID 3974710

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 3298972) is (4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is Nc1ccc(C(=O)N2N=C(c3ccc(F)cc3)CC2(O)C(F)(F)F)cc1.
What is the InChIKey of (4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is UNFJRENZEAOWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O2/c18-12-5-1-10(2-6-12)14-9-16(26,17(19,20)21)24(23-14)15(25)11-3-7-13(22)8-4-11/h1-8,26H,9,22H2.
What are the key properties of (4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
(4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 367.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3298972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).