3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide

C7H9F2N3O — CID 177229835

IUPAC3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CC(F)F)n1
InChIInChI=1S/C7H9F2N3O/c1-12-3-2-6(11-12)10-7(13)4-5(8)9/h2-3,5H,4H2,1H3,(H,10,11,13)
InChIKeyOIILAVUTFPHEKN-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.01
Rot. Bonds3

About 3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide

3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 177229835) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID177229835
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CC(F)F)n1
InChIInChI=1S/C7H9F2N3O/c1-12-3-2-6(11-12)10-7(13)4-5(8)9/h2-3,5H,4H2,1H3,(H,10,11,13)
InChIKeyOIILAVUTFPHEKN-UHFFFAOYSA-N
XLogP1.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide (CID 177229835) is 3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)CC(F)F)n1.
What is the InChIKey of 3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is OIILAVUTFPHEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-12-3-2-6(11-12)10-7(13)4-5(8)9/h2-3,5H,4H2,1H3,(H,10,11,13).
What are the key properties of 3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide?
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 189.17 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 177229835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).