2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one

C10H13F3N2O2 — CID 66021926

IUPAC2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCc1c(C(F)(F)F)[nH]n(C2CCCC2O)c1=O
InChIInChI=1S/C10H13F3N2O2/c1-5-8(10(11,12)13)14-15(9(5)17)6-3-2-4-7(6)16/h6-7,14,16H,2-4H2,1H3
InChIKeyFBDDEKCXQYBGJP-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.59
Rot. Bonds1

About 2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one

2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 66021926) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID66021926
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCc1c(C(F)(F)F)[nH]n(C2CCCC2O)c1=O
InChIInChI=1S/C10H13F3N2O2/c1-5-8(10(11,12)13)14-15(9(5)17)6-3-2-4-7(6)16/h6-7,14,16H,2-4H2,1H3
InChIKeyFBDDEKCXQYBGJP-UHFFFAOYSA-N
XLogP1.59
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one (CID 66021926) is 2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one is Cc1c(C(F)(F)F)[nH]n(C2CCCC2O)c1=O.
What is the InChIKey of 2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The InChIKey is FBDDEKCXQYBGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-5-8(10(11,12)13)14-15(9(5)17)6-3-2-4-7(6)16/h6-7,14,16H,2-4H2,1H3.
What are the key properties of 2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one has a molecular weight of 250.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66021926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).