N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

C17H19F3N4O — CID 166286555

IUPACN-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESCC1(CNC(=O)Cc2ccn(-c3ccc(F)cc3)n2)CC(F)(F)CN1
InChIInChI=1S/C17H19F3N4O/c1-16(9-17(19,20)11-22-16)10-21-15(25)8-13-6-7-24(23-13)14-4-2-12(18)3-5-14/h2-7,22H,8-11H2,1H3,(H,21,25)
InChIKeyGUOZHEIZSXIAQS-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.06
Rot. Bonds5

About N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (PubChem CID 166286555) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
PubChem CID166286555
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESCC1(CNC(=O)Cc2ccn(-c3ccc(F)cc3)n2)CC(F)(F)CN1
InChIInChI=1S/C17H19F3N4O/c1-16(9-17(19,20)11-22-16)10-21-15(25)8-13-6-7-24(23-13)14-4-2-12(18)3-5-14/h2-7,22H,8-11H2,1H3,(H,21,25)
InChIKeyGUOZHEIZSXIAQS-UHFFFAOYSA-N
XLogP2.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (CID 166286555) is N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is CC1(CNC(=O)Cc2ccn(-c3ccc(F)cc3)n2)CC(F)(F)CN1.
What is the InChIKey of N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is GUOZHEIZSXIAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-16(9-17(19,20)11-22-16)10-21-15(25)8-13-6-7-24(23-13)14-4-2-12(18)3-5-14/h2-7,22H,8-11H2,1H3,(H,21,25).
What are the key properties of N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 352.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 166286555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).