1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol

C14H16F2N2O3 — CID 82868688

IUPAC1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccn(C)n2)cc1OC(F)F
InChIInChI=1S/C14H16F2N2O3/c1-18-6-5-10(17-18)8-11(19)9-3-4-12(20-2)13(7-9)21-14(15)16/h3-7,11,14,19H,8H2,1-2H3
InChIKeyKEFJCUGRDFNAGN-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.31
Rot. Bonds6

About 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol

1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 82868688) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID82868688
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccn(C)n2)cc1OC(F)F
InChIInChI=1S/C14H16F2N2O3/c1-18-6-5-10(17-18)8-11(19)9-3-4-12(20-2)13(7-9)21-14(15)16/h3-7,11,14,19H,8H2,1-2H3
InChIKeyKEFJCUGRDFNAGN-UHFFFAOYSA-N
XLogP2.31
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(difluoromethoxy)-4-methoxyphenyl]-4,4,4-trifluorobutan-1-ol
CID 64564930
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol
CID 79567663
1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82868986
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 64785433
1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828801
2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 82869084
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025301
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336
1-(3-iodophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828653
1-[3-(difluoromethoxy)-4-methoxyphenyl]hex-4-yn-1-ol
CID 104809372
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82872955
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol (CID 82868688) is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol is COc1ccc(C(O)Cc2ccn(C)n2)cc1OC(F)F.
What is the InChIKey of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is KEFJCUGRDFNAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-18-6-5-10(17-18)8-11(19)9-3-4-12(20-2)13(7-9)21-14(15)16/h3-7,11,14,19H,8H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol?
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 298.29 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 82868688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).