N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide

C8H11F2N3O — CID 170408863

IUPACN-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide
SMILESCc1cc(NC(=O)CC(F)F)nn1C
InChIInChI=1S/C8H11F2N3O/c1-5-3-7(12-13(5)2)11-8(14)4-6(9)10/h3,6H,4H2,1-2H3,(H,11,12,14)
InChIKeyYPRMMPNGDQRZQS-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.32
Rot. Bonds3

About N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide

N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide (PubChem CID 170408863) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide
PubChem CID170408863
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide
SMILESCc1cc(NC(=O)CC(F)F)nn1C
InChIInChI=1S/C8H11F2N3O/c1-5-3-7(12-13(5)2)11-8(14)4-6(9)10/h3,6H,4H2,1-2H3,(H,11,12,14)
InChIKeyYPRMMPNGDQRZQS-UHFFFAOYSA-N
XLogP1.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide (CID 170408863) is N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide is Cc1cc(NC(=O)CC(F)F)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide?
The InChIKey is YPRMMPNGDQRZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-5-3-7(12-13(5)2)11-8(14)4-6(9)10/h3,6H,4H2,1-2H3,(H,11,12,14).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide?
N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide has a molecular weight of 203.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-3,3-difluoropropanamide is sourced from PubChem (CID 170408863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).