2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol

C9H14F2N2O2 — CID 134450743

IUPAC2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol
SMILESCC(C)c1cn(C(F)F)nc1OCCO
InChIInChI=1S/C9H14F2N2O2/c1-6(2)7-5-13(9(10)11)12-8(7)15-4-3-14/h5-6,9,14H,3-4H2,1-2H3
InChIKeyHTWKMQPFNFYFDB-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.77
Rot. Bonds5

About 2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol

2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol (PubChem CID 134450743) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol
PubChem CID134450743
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol
SMILESCC(C)c1cn(C(F)F)nc1OCCO
InChIInChI=1S/C9H14F2N2O2/c1-6(2)7-5-13(9(10)11)12-8(7)15-4-3-14/h5-6,9,14H,3-4H2,1-2H3
InChIKeyHTWKMQPFNFYFDB-UHFFFAOYSA-N
XLogP1.77
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol?
The IUPAC name of 2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol (CID 134450743) is 2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol is CC(C)c1cn(C(F)F)nc1OCCO.
What is the InChIKey of 2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol?
The InChIKey is HTWKMQPFNFYFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c1-6(2)7-5-13(9(10)11)12-8(7)15-4-3-14/h5-6,9,14H,3-4H2,1-2H3.
What are the key properties of 2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol?
2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol has a molecular weight of 220.22 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol is sourced from PubChem (CID 134450743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).