2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide

C9H13F2N3O — CID 103514039

IUPAC2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCc1[nH]ncc1CCCNC(=O)C(F)F
InChIInChI=1S/C9H13F2N3O/c1-6-7(5-13-14-6)3-2-4-12-9(15)8(10)11/h5,8H,2-4H2,1H3,(H,12,15)(H,13,14)
InChIKeyADQCFEOCKHYSCU-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.03
Rot. Bonds5

About 2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide

2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (PubChem CID 103514039) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
PubChem CID103514039
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCc1[nH]ncc1CCCNC(=O)C(F)F
InChIInChI=1S/C9H13F2N3O/c1-6-7(5-13-14-6)3-2-4-12-9(15)8(10)11/h5,8H,2-4H2,1H3,(H,12,15)(H,13,14)
InChIKeyADQCFEOCKHYSCU-UHFFFAOYSA-N
XLogP1.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (CID 103514039) is 2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is Cc1[nH]ncc1CCCNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The InChIKey is ADQCFEOCKHYSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-6-7(5-13-14-6)3-2-4-12-9(15)8(10)11/h5,8H,2-4H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide has a molecular weight of 217.22 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 103514039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).