N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide

C19H13F4N3O2 — CID 10524483

IUPACN-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide
SMILESCC(=O)c1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H13F4N3O2/c1-11(27)16-10-17(19(21,22)23)25-26(16)13-8-6-12(7-9-13)24-18(28)14-4-2-3-5-15(14)20/h2-10H,1H3,(H,24,28)
InChIKeyPROVRGJNMATWLT-UHFFFAOYSA-N
MW391.32 g/mol
LogP4.49
Rot. Bonds4

About N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide

N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide (PubChem CID 10524483) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide
PubChem CID10524483
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC NameN-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide
SMILESCC(=O)c1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H13F4N3O2/c1-11(27)16-10-17(19(21,22)23)25-26(16)13-8-6-12(7-9-13)24-18(28)14-4-2-3-5-15(14)20/h2-10H,1H3,(H,24,28)
InChIKeyPROVRGJNMATWLT-UHFFFAOYSA-N
XLogP4.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide (CID 10524483) is N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide is CC(=O)c1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide?
The InChIKey is PROVRGJNMATWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c1-11(27)16-10-17(19(21,22)23)25-26(16)13-8-6-12(7-9-13)24-18(28)14-4-2-3-5-15(14)20/h2-10H,1H3,(H,24,28).
What are the key properties of N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide?
N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide has a molecular weight of 391.32 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-acetyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 10524483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).