N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide

C13H13F2N3O — CID 45106842

IUPACN-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C13H13F2N3O/c1-9-4-6-18(17-9)7-5-13(19)16-12-3-2-10(14)8-11(12)15/h2-4,6,8H,5,7H2,1H3,(H,16,19)
InChIKeyOCNZBZUUONLPJK-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.50
Rot. Bonds4

About N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide

N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 45106842) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID45106842
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC NameN-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C13H13F2N3O/c1-9-4-6-18(17-9)7-5-13(19)16-12-3-2-10(14)8-11(12)15/h2-4,6,8H,5,7H2,1H3,(H,16,19)
InChIKeyOCNZBZUUONLPJK-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide (CID 45106842) is N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is OCNZBZUUONLPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-9-4-6-18(17-9)7-5-13(19)16-12-3-2-10(14)8-11(12)15/h2-4,6,8H,5,7H2,1H3,(H,16,19).
What are the key properties of N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 265.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 45106842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).