N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide

C9H13F2N3O2 — CID 166226165

IUPACN-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1cc(OC(F)F)n(C)n1
InChIInChI=1S/C9H13F2N3O2/c1-3-4-7(15)12-6-5-8(14(2)13-6)16-9(10)11/h5,9H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyOUJWSNLNPHUNMM-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.76
Rot. Bonds5

About N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide

N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide (PubChem CID 166226165) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide
PubChem CID166226165
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC NameN-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1cc(OC(F)F)n(C)n1
InChIInChI=1S/C9H13F2N3O2/c1-3-4-7(15)12-6-5-8(14(2)13-6)16-9(10)11/h5,9H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyOUJWSNLNPHUNMM-UHFFFAOYSA-N
XLogP1.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide?
The IUPAC name of N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide (CID 166226165) is N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide.
What is the SMILES notation for N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide?
The canonical SMILES for N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide is CCCC(=O)Nc1cc(OC(F)F)n(C)n1.
What is the InChIKey of N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide?
The InChIKey is OUJWSNLNPHUNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-3-4-7(15)12-6-5-8(14(2)13-6)16-9(10)11/h5,9H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide?
N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide has a molecular weight of 233.22 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide is sourced from PubChem (CID 166226165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).