3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole

C9H14F2N2 — CID 89368566

IUPAC3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1ccc(C(C)(F)F)n1
InChIInChI=1S/C9H14F2N2/c1-7(2)6-13-5-4-8(12-13)9(3,10)11/h4-5,7H,6H2,1-3H3
InChIKeyWKCHDXLDKLCHCI-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.65
Rot. Bonds3

About 3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole

3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole (PubChem CID 89368566) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole
PubChem CID89368566
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1ccc(C(C)(F)F)n1
InChIInChI=1S/C9H14F2N2/c1-7(2)6-13-5-4-8(12-13)9(3,10)11/h4-5,7H,6H2,1-3H3
InChIKeyWKCHDXLDKLCHCI-UHFFFAOYSA-N
XLogP2.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole (CID 89368566) is 3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole is CC(C)Cn1ccc(C(C)(F)F)n1.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole?
The InChIKey is WKCHDXLDKLCHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-7(2)6-13-5-4-8(12-13)9(3,10)11/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole?
3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole has a molecular weight of 188.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 89368566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).