2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid

C14H20F2N2O2 — CID 43804883

IUPAC2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid
SMILESCn1cc(C(F)(F)CC2(CC(=O)O)CCCCC2)cn1
InChIInChI=1S/C14H20F2N2O2/c1-18-9-11(8-17-18)14(15,16)10-13(7-12(19)20)5-3-2-4-6-13/h8-9H,2-7,10H2,1H3,(H,19,20)
InChIKeyDYJZFURQLMRGEY-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.33
Rot. Bonds5

About 2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid

2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid (PubChem CID 43804883) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid
PubChem CID43804883
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid
SMILESCn1cc(C(F)(F)CC2(CC(=O)O)CCCCC2)cn1
InChIInChI=1S/C14H20F2N2O2/c1-18-9-11(8-17-18)14(15,16)10-13(7-12(19)20)5-3-2-4-6-13/h8-9H,2-7,10H2,1H3,(H,19,20)
InChIKeyDYJZFURQLMRGEY-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid (CID 43804883) is 2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid is Cn1cc(C(F)(F)CC2(CC(=O)O)CCCCC2)cn1.
What is the InChIKey of 2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid?
The InChIKey is DYJZFURQLMRGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-18-9-11(8-17-18)14(15,16)10-13(7-12(19)20)5-3-2-4-6-13/h8-9H,2-7,10H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid?
2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid has a molecular weight of 286.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2,2-difluoro-2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43804883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).