3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole

C11H18F2N2 — CID 90162128

IUPAC3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)(F)F)nn1C(C)C
InChIInChI=1S/C11H18F2N2/c1-7(2)9-6-10(11(5,12)13)14-15(9)8(3)4/h6-8H,1-5H3
InChIKeyWZLXQVYMFSNAPN-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.70
Rot. Bonds3

About 3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole

3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole (PubChem CID 90162128) has the molecular formula C11H18F2N2 and a molecular weight of 216.27 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole
PubChem CID90162128
Molecular FormulaC11H18F2N2
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC Name3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)(F)F)nn1C(C)C
InChIInChI=1S/C11H18F2N2/c1-7(2)9-6-10(11(5,12)13)14-15(9)8(3)4/h6-8H,1-5H3
InChIKeyWZLXQVYMFSNAPN-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.70
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)-1,5-di(propan-2-yl)pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole (CID 90162128) is 3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole is CC(C)c1cc(C(C)(F)F)nn1C(C)C.
What is the InChIKey of 3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole?
The InChIKey is WZLXQVYMFSNAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2/c1-7(2)9-6-10(11(5,12)13)14-15(9)8(3)4/h6-8H,1-5H3.
What are the key properties of 3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole?
3-(1,1-difluoroethyl)-1,5-di(propan-2-yl)pyrazole has a molecular weight of 216.27 g/mol, XLogP of 3.70, 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)-1,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 90162128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).