N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C13H20F2N4O — CID 126820330

IUPACN-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CCN(CC(F)F)C1
InChIInChI=1S/C13H20F2N4O/c1-8-11(9(2)18-17-8)5-13(20)16-10-3-4-19(6-10)7-12(14)15/h10,12H,3-7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyGMAQYTPKGPIJKH-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.02
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 126820330) has the molecular formula C13H20F2N4O and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID126820330
Molecular FormulaC13H20F2N4O
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC NameN-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CCN(CC(F)F)C1
InChIInChI=1S/C13H20F2N4O/c1-8-11(9(2)18-17-8)5-13(20)16-10-3-4-19(6-10)7-12(14)15/h10,12H,3-7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyGMAQYTPKGPIJKH-UHFFFAOYSA-N
XLogP1.02
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 126820330) is N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NC1CCN(CC(F)F)C1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is GMAQYTPKGPIJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O/c1-8-11(9(2)18-17-8)5-13(20)16-10-3-4-19(6-10)7-12(14)15/h10,12H,3-7H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 126820330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).