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

C20H22F3N3O — CID 169169454

IUPACN-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCn1nc(-c2ccccc2F)c(C2CCC2)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C20H22F3N3O/c1-26-19(24-16(27)9-12-10-20(22,23)11-12)17(13-5-4-6-13)18(25-26)14-7-2-3-8-15(14)21/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,24,27)
InChIKeyXAJZSRPOPZCYBD-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.87
Rot. Bonds5

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

N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 169169454) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID169169454
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC NameN-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCn1nc(-c2ccccc2F)c(C2CCC2)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C20H22F3N3O/c1-26-19(24-16(27)9-12-10-20(22,23)11-12)17(13-5-4-6-13)18(25-26)14-7-2-3-8-15(14)21/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,24,27)
InChIKeyXAJZSRPOPZCYBD-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-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide (CID 169169454) is N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide is Cn1nc(-c2ccccc2F)c(C2CCC2)c1NC(=O)CC1CC(F)(F)C1.
What is the InChIKey of N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is XAJZSRPOPZCYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-26-19(24-16(27)9-12-10-20(22,23)11-12)17(13-5-4-6-13)18(25-26)14-7-2-3-8-15(14)21/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,24,27).
What are the key properties of N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-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-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 169169454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).