N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid

C19H16F4N4O4 — CID 117075799

IUPACN-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid
SMILESNc1[nH]ncc1-c1ccc(NC(=O)C(O)c2ccc(F)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H15FN4O2.C2HF3O2/c18-12-5-1-11(2-6-12)15(23)17(24)21-13-7-3-10(4-8-13)14-9-20-22-16(14)19;3-2(4,5)1(6)7/h1-9,15,23H,(H,21,24)(H3,19,20,22);(H,6,7)
InChIKeyPBPLJPYRAHWADQ-UHFFFAOYSA-N
MW440.35 g/mol
LogP3.10
Rot. Bonds4

About N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid

N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid (PubChem CID 117075799) has the molecular formula C19H16F4N4O4 and a molecular weight of 440.35 g/mol. Its IUPAC name is N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid
PubChem CID117075799
Molecular FormulaC19H16F4N4O4
Molecular Weight440.35 g/mol
Exact Mass440.11
IUPAC NameN-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid
SMILESNc1[nH]ncc1-c1ccc(NC(=O)C(O)c2ccc(F)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H15FN4O2.C2HF3O2/c18-12-5-1-11(2-6-12)15(23)17(24)21-13-7-3-10(4-8-13)14-9-20-22-16(14)19;3-2(4,5)1(6)7/h1-9,15,23H,(H,21,24)(H3,19,20,22);(H,6,7)
InChIKeyPBPLJPYRAHWADQ-UHFFFAOYSA-N
XLogP3.10
TPSA141.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 53.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 117076489
2-(4-fluorophenyl)-2-hydroxy-N-(4-methylphenyl)acetamide
CID 82132590
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]aniline;2,2,2-trifluoroacetic acid
CID 117076491
(2R)-2-amino-3-(3-bromophenyl)-N-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]propanamide;bis(2,2,2-trifluoroacetic acid)
CID 117075904
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]benzamide;2,2,2-trifluoroacetic acid
CID 117076487
(2S,3S)-N-(2-amino-3H-benzimidazol-5-yl)-N'-(4-fluorophenyl)-2,3-dihydroxybutanediamide;2,2,2-trifluoroacetic acid
CID 159792659
2-amino-2-(4-fluorophenyl)-N-phenylacetamide
CID 123261896
N-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 117076402
3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156562793
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea
CID 79531349
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
4-[5-(aminomethyl)-2-pyridinyl]-N-(4-fluorophenyl)benzamide;2,2,2-trifluoroacetic acid
CID 172895144

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid (CID 117075799) is N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid is Nc1[nH]ncc1-c1ccc(NC(=O)C(O)c2ccc(F)cc2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is PBPLJPYRAHWADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2.C2HF3O2/c18-12-5-1-11(2-6-12)15(23)17(24)21-13-7-3-10(4-8-13)14-9-20-22-16(14)19;3-2(4,5)1(6)7/h1-9,15,23H,(H,21,24)(H3,19,20,22);(H,6,7).
What are the key properties of N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid?
N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 440.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117075799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).