N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane

C10H15F2N3O2 — CID 166528298

IUPACN-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane
SMILESC.Cn1cc(NC=O)c(OC2CC(F)(F)C2)n1
InChIInChI=1S/C9H11F2N3O2.CH4/c1-14-4-7(12-5-15)8(13-14)16-6-2-9(10,11)3-6;/h4-6H,2-3H2,1H3,(H,12,15);1H4
InChIKeyGMYMPVBGYXROAR-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.80
Rot. Bonds4

About N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane

N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane (PubChem CID 166528298) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane.

Molecular Properties

Compound NameN-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane
PubChem CID166528298
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC NameN-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane
SMILESC.Cn1cc(NC=O)c(OC2CC(F)(F)C2)n1
InChIInChI=1S/C9H11F2N3O2.CH4/c1-14-4-7(12-5-15)8(13-14)16-6-2-9(10,11)3-6;/h4-6H,2-3H2,1H3,(H,12,15);1H4
InChIKeyGMYMPVBGYXROAR-UHFFFAOYSA-N
XLogP1.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane?
The IUPAC name of N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane (CID 166528298) is N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane.
What is the SMILES notation for N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane?
The canonical SMILES for N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane is C.Cn1cc(NC=O)c(OC2CC(F)(F)C2)n1.
What is the InChIKey of N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane?
The InChIKey is GMYMPVBGYXROAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2.CH4/c1-14-4-7(12-5-15)8(13-14)16-6-2-9(10,11)3-6;/h4-6H,2-3H2,1H3,(H,12,15);1H4.
What are the key properties of N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane?
N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane has a molecular weight of 247.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide;methane is sourced from PubChem (CID 166528298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).