2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one

C9H12F2N2O — CID 66020670

IUPAC2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)F)[nH]n1C1CCCC1
InChIInChI=1S/C9H12F2N2O/c10-9(11)7-5-8(14)13(12-7)6-3-1-2-4-6/h5-6,9,12H,1-4H2
InChIKeyQFUSLIZXNZGTBT-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.23
Rot. Bonds2

About 2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one

2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one (PubChem CID 66020670) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one
PubChem CID66020670
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)F)[nH]n1C1CCCC1
InChIInChI=1S/C9H12F2N2O/c10-9(11)7-5-8(14)13(12-7)6-3-1-2-4-6/h5-6,9,12H,1-4H2
InChIKeyQFUSLIZXNZGTBT-UHFFFAOYSA-N
XLogP2.23
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one (CID 66020670) is 2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one is O=c1cc(C(F)F)[nH]n1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one?
The InChIKey is QFUSLIZXNZGTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-9(11)7-5-8(14)13(12-7)6-3-1-2-4-6/h5-6,9,12H,1-4H2.
What are the key properties of 2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one?
2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one has a molecular weight of 202.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(difluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66020670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).