2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one

C11H14F2N2O — CID 170741180

IUPAC2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one
SMILESCC1(c2ccn(C(C)(F)F)n2)CCCC1=O
InChIInChI=1S/C11H14F2N2O/c1-10(6-3-4-9(10)16)8-5-7-15(14-8)11(2,12)13/h5,7H,3-4,6H2,1-2H3
InChIKeyOZXVYUCNDPUGSO-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.46
Rot. Bonds2

About 2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one

2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one (PubChem CID 170741180) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one
PubChem CID170741180
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one
SMILESCC1(c2ccn(C(C)(F)F)n2)CCCC1=O
InChIInChI=1S/C11H14F2N2O/c1-10(6-3-4-9(10)16)8-5-7-15(14-8)11(2,12)13/h5,7H,3-4,6H2,1-2H3
InChIKeyOZXVYUCNDPUGSO-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one?
The IUPAC name of 2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one (CID 170741180) is 2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one.
What is the SMILES notation for 2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one?
The canonical SMILES for 2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one is CC1(c2ccn(C(C)(F)F)n2)CCCC1=O.
What is the InChIKey of 2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one?
The InChIKey is OZXVYUCNDPUGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-10(6-3-4-9(10)16)8-5-7-15(14-8)11(2,12)13/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one?
2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one has a molecular weight of 228.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1-difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one is sourced from PubChem (CID 170741180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).