[4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C19H18F3N3O2 — CID 3974710

IUPAC[4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2N=C(c3ccccc3)CC2(O)C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O2/c1-24(2)15-10-8-14(9-11-15)17(26)25-18(27,19(20,21)22)12-16(23-25)13-6-4-3-5-7-13/h3-11,27H,12H2,1-2H3
InChIKeyKIKJZXWVBTUCNF-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.25
Rot. Bonds3

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

[4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 3974710) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID3974710
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name[4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2N=C(c3ccccc3)CC2(O)C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O2/c1-24(2)15-10-8-14(9-11-15)17(26)25-18(27,19(20,21)22)12-16(23-25)13-6-4-3-5-7-13/h3-11,27H,12H2,1-2H3
InChIKeyKIKJZXWVBTUCNF-UHFFFAOYSA-N
XLogP3.25
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
CID 3579517
(4-(4-(4-Dimethylaminobenzyliden-1-yl)-3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
CID 776848
(4-aminophenyl)[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
CID 3298972
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (1-phenyl-propylidene)-hydrazide
CID 5331395
3,5-bis(difluoromethyl)-1-[3-(dimethylamino)benzoyl]-4,5-dihydro-1H-pyrazol-5-ol
CID 4402633
3-(4-chlorophenyl)-1-[4-(dimethylamino)benzoyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2916789
N-{4-[1-(4-fluorobenzoyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl]phenyl}-N,N-dimethylamine
CID 3365717
N-[4-(N-benzoylethanehydrazonoyl)phenyl]-2,2,2-trifluoroacetamide
CID 5412073
4-(dimethylamino)-N'-(1-phenylpropylidene)benzohydrazide
CID 9616048
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (1-phenyl-ethylidene)-hydrazide
CID 5338193
[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 2858901
[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone
CID 6615353

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 3974710) is [4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is CN(C)c1ccc(C(=O)N2N=C(c3ccccc3)CC2(O)C(F)(F)F)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is KIKJZXWVBTUCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-24(2)15-10-8-14(9-11-15)17(26)25-18(27,19(20,21)22)12-16(23-25)13-6-4-3-5-7-13/h3-11,27H,12H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
[4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 377.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3974710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).