N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide

C20H22F3N3O — CID 169169278

IUPACN-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(C2CCC2)c1NC(=O)CC1CCC1(F)F
InChIInChI=1S/C20H22F3N3O/c1-26-19(24-16(27)11-14-9-10-20(14,22)23)17(12-3-2-4-12)18(25-26)13-5-7-15(21)8-6-13/h5-8,12,14H,2-4,9-11H2,1H3,(H,24,27)
InChIKeyGHLCZWMADQXUIM-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.87
Rot. Bonds5

About N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide

N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide (PubChem CID 169169278) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide
PubChem CID169169278
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC NameN-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(C2CCC2)c1NC(=O)CC1CCC1(F)F
InChIInChI=1S/C20H22F3N3O/c1-26-19(24-16(27)11-14-9-10-20(14,22)23)17(12-3-2-4-12)18(25-26)13-5-7-15(21)8-6-13/h5-8,12,14H,2-4,9-11H2,1H3,(H,24,27)
InChIKeyGHLCZWMADQXUIM-UHFFFAOYSA-N
XLogP4.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide?
The IUPAC name of N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide (CID 169169278) is N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide is Cn1nc(-c2ccc(F)cc2)c(C2CCC2)c1NC(=O)CC1CCC1(F)F.
What is the InChIKey of N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide?
The InChIKey is GHLCZWMADQXUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-26-19(24-16(27)11-14-9-10-20(14,22)23)17(12-3-2-4-12)18(25-26)13-5-7-15(21)8-6-13/h5-8,12,14H,2-4,9-11H2,1H3,(H,24,27).
What are the key properties of N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide?
N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide has a molecular weight of 377.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-(2,2-difluorocyclobutyl)acetamide is sourced from PubChem (CID 169169278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).