N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide

C19H17F2N3O — CID 122196544

IUPACN-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)cc1)n1cc(-c2ccccc2F)cn1
InChIInChI=1S/C19H17F2N3O/c1-19(2,18(25)23-15-9-7-14(20)8-10-15)24-12-13(11-22-24)16-5-3-4-6-17(16)21/h3-12H,1-2H3,(H,23,25)
InChIKeyYIRVBDZTHISHJM-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.20
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide

N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide (PubChem CID 122196544) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide
PubChem CID122196544
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)cc1)n1cc(-c2ccccc2F)cn1
InChIInChI=1S/C19H17F2N3O/c1-19(2,18(25)23-15-9-7-14(20)8-10-15)24-12-13(11-22-24)16-5-3-4-6-17(16)21/h3-12H,1-2H3,(H,23,25)
InChIKeyYIRVBDZTHISHJM-UHFFFAOYSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide (CID 122196544) is N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(F)cc1)n1cc(-c2ccccc2F)cn1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide?
The InChIKey is YIRVBDZTHISHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-19(2,18(25)23-15-9-7-14(20)8-10-15)24-12-13(11-22-24)16-5-3-4-6-17(16)21/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide?
N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 341.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 122196544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).