5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole

C10H14F2N2O — CID 166528390

IUPAC5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole
SMILESC=C(OCC)c1n[nH]c(C(C)(F)F)c1C
InChIInChI=1S/C10H14F2N2O/c1-5-15-7(3)8-6(2)9(14-13-8)10(4,11)12/h3,5H2,1-2,4H3,(H,13,14)
InChIKeyLHTWSAMFARICEU-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.84
Rot. Bonds4

About 5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole

5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole (PubChem CID 166528390) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole
PubChem CID166528390
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole
SMILESC=C(OCC)c1n[nH]c(C(C)(F)F)c1C
InChIInChI=1S/C10H14F2N2O/c1-5-15-7(3)8-6(2)9(14-13-8)10(4,11)12/h3,5H2,1-2,4H3,(H,13,14)
InChIKeyLHTWSAMFARICEU-UHFFFAOYSA-N
XLogP2.84
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole?
The IUPAC name of 5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole (CID 166528390) is 5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole is C=C(OCC)c1n[nH]c(C(C)(F)F)c1C.
What is the InChIKey of 5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole?
The InChIKey is LHTWSAMFARICEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-5-15-7(3)8-6(2)9(14-13-8)10(4,11)12/h3,5H2,1-2,4H3,(H,13,14).
What are the key properties of 5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole?
5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole has a molecular weight of 216.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole is sourced from PubChem (CID 166528390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).