N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide

C22H23FN4O — CID 71797561

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C22H23FN4O/c23-18-7-5-16(6-8-18)13-22(28)25-15-19-14-21(17-9-11-24-12-10-17)27(26-19)20-3-1-2-4-20/h5-12,14,20H,1-4,13,15H2,(H,25,28)
InChIKeyRRVLIQDBRNEXHY-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.06
Rot. Bonds6

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 71797561) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide
PubChem CID71797561
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C22H23FN4O/c23-18-7-5-16(6-8-18)13-22(28)25-15-19-14-21(17-9-11-24-12-10-17)27(26-19)20-3-1-2-4-20/h5-12,14,20H,1-4,13,15H2,(H,25,28)
InChIKeyRRVLIQDBRNEXHY-UHFFFAOYSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide (CID 71797561) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is RRVLIQDBRNEXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-18-7-5-16(6-8-18)13-22(28)25-15-19-14-21(17-9-11-24-12-10-17)27(26-19)20-3-1-2-4-20/h5-12,14,20H,1-4,13,15H2,(H,25,28).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 71797561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).