(2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone

C11H8F2N2O2 — CID 114990495

IUPAC(2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone
SMILESCOc1cc(F)c(C(=O)c2cn[nH]c2)c(F)c1
InChIInChI=1S/C11H8F2N2O2/c1-17-7-2-8(12)10(9(13)3-7)11(16)6-4-14-15-5-6/h2-5H,1H3,(H,14,15)
InChIKeyWBRYBWQHKPCFLY-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.93
Rot. Bonds3

About (2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone

(2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone (PubChem CID 114990495) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone
PubChem CID114990495
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone
SMILESCOc1cc(F)c(C(=O)c2cn[nH]c2)c(F)c1
InChIInChI=1S/C11H8F2N2O2/c1-17-7-2-8(12)10(9(13)3-7)11(16)6-4-14-15-5-6/h2-5H,1H3,(H,14,15)
InChIKeyWBRYBWQHKPCFLY-UHFFFAOYSA-N
XLogP1.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone (CID 114990495) is (2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone is COc1cc(F)c(C(=O)c2cn[nH]c2)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is WBRYBWQHKPCFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c1-17-7-2-8(12)10(9(13)3-7)11(16)6-4-14-15-5-6/h2-5H,1H3,(H,14,15).
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone?
(2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 238.19 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 114990495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).