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

C19H15F4N3O3 — CID 117076489

IUPACN-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1ccc(-c2cn[nH]c2-c2ccc(F)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H14FN3O.C2HF3O2/c1-11(22)20-15-8-4-12(5-9-15)16-10-19-21-17(16)13-2-6-14(18)7-3-13;3-2(4,5)1(6)7/h2-10H,1H3,(H,19,21)(H,20,22);(H,6,7)
InChIKeyAQKCNZQZYAGRJQ-UHFFFAOYSA-N
MW409.34 g/mol
LogP4.47
Rot. Bonds3

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

N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 117076489) has the molecular formula C19H15F4N3O3 and a molecular weight of 409.34 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID117076489
Molecular FormulaC19H15F4N3O3
Molecular Weight409.34 g/mol
Exact Mass409.10
IUPAC NameN-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1ccc(-c2cn[nH]c2-c2ccc(F)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H14FN3O.C2HF3O2/c1-11(22)20-15-8-4-12(5-9-15)16-10-19-21-17(16)13-2-6-14(18)7-3-13;3-2(4,5)1(6)7/h2-10H,1H3,(H,19,21)(H,20,22);(H,6,7)
InChIKeyAQKCNZQZYAGRJQ-UHFFFAOYSA-N
XLogP4.47
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]aniline;2,2,2-trifluoroacetic acid
CID 117076491
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]benzamide;2,2,2-trifluoroacetic acid
CID 117076487
N-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-2-(4-fluorophenyl)-2-hydroxyacetamide;2,2,2-trifluoroacetic acid
CID 117075799
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
N-(4-acetamidophenyl)-2-cyano-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]prop-2-enamide
CID 55477518
N-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 117076402
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
CID 23080651
N-[4-(1H-indazol-4-yl)phenyl]acetamide
CID 146128615
(2R)-2-amino-3-(3-bromophenyl)-N-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]propanamide;bis(2,2,2-trifluoroacetic acid)
CID 117075904
N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 67184113
3-[[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 71295825

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid (CID 117076489) is N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid is CC(=O)Nc1ccc(-c2cn[nH]c2-c2ccc(F)cc2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is AQKCNZQZYAGRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O.C2HF3O2/c1-11(22)20-15-8-4-12(5-9-15)16-10-19-21-17(16)13-2-6-14(18)7-3-13;3-2(4,5)1(6)7/h2-10H,1H3,(H,19,21)(H,20,22);(H,6,7).
What are the key properties of N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 409.34 g/mol, XLogP of 4.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117076489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).