[2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone

C12H10F2N2O2 — CID 103133837

IUPAC[2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C12H10F2N2O2/c1-16-7-6-9(15-16)11(17)8-4-2-3-5-10(8)18-12(13)14/h2-7,12H,1H3
InChIKeyANZRJTUGGRZFSI-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.25
Rot. Bonds4

About [2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone

[2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 103133837) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone
PubChem CID103133837
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name[2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C12H10F2N2O2/c1-16-7-6-9(15-16)11(17)8-4-2-3-5-10(8)18-12(13)14/h2-7,12H,1H3
InChIKeyANZRJTUGGRZFSI-UHFFFAOYSA-N
XLogP2.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[2-(difluoromethoxy)phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one
CID 19565418
(2-iodophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133832
(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103130515
(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133443
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634
2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346092
(2-methoxy-5-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195748
[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107515050
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
[2-(difluoromethoxy)phenyl]-(2,4-difluorophenyl)methanone
CID 43337704
[2-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methanone
CID 43337454
(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 43339860

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone (CID 103133837) is [2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)c2ccccc2OC(F)F)n1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is ANZRJTUGGRZFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-16-7-6-9(15-16)11(17)8-4-2-3-5-10(8)18-12(13)14/h2-7,12H,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone?
[2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 252.22 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 103133837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).