[3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol

C13H14F2N2O2 — CID 116801968

IUPAC[3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol
SMILESCCCn1cc(Oc2c(F)cc(CO)cc2F)cn1
InChIInChI=1S/C13H14F2N2O2/c1-2-3-17-7-10(6-16-17)19-13-11(14)4-9(8-18)5-12(13)15/h4-7,18H,2-3,8H2,1H3
InChIKeyHCAMIIICGUCYEH-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.86
Rot. Bonds5

About [3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol

[3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol (PubChem CID 116801968) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is [3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol
PubChem CID116801968
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name[3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol
SMILESCCCn1cc(Oc2c(F)cc(CO)cc2F)cn1
InChIInChI=1S/C13H14F2N2O2/c1-2-3-17-7-10(6-16-17)19-13-11(14)4-9(8-18)5-12(13)15/h4-7,18H,2-3,8H2,1H3
InChIKeyHCAMIIICGUCYEH-UHFFFAOYSA-N
XLogP2.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylphenyl 2-(1H-pyrazol-1-yl)ethyl ether
CID 3414162
2-[4-[[4-[2-(4-Methylphenoxy)ethyl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 53624402
1-(4-methoxyphenyl)-2-(1H-pyrazol-1-yl)propan-1-ol
CID 50989241
4-[[4-(Difluoromethyl)phenyl]methoxy]-1-ethylpyrazole
CID 99839136
2-Pyrazol-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 20188204
2-Pyrazol-1-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 70431987
1-[2-(2-Ethyl-5-fluorophenoxy)ethyl]pyrazole
CID 89652862
1-[2-(5-Fluoro-2-methylphenoxy)ethyl]pyrazole
CID 89662785
4-[(3,5-Difluoro-4-methylphenoxy)methyl]-1-methylpyrazole
CID 90368719
4-[4-(Bromomethyl)-2,6-difluorophenoxy]-1-methylpyrazole
CID 107089221
[3,5-Difluoro-4-(1-methylpyrazol-4-yl)oxyphenyl]methanol
CID 113564587
[4-(1-Ethylpyrazol-4-yl)oxy-3,5-difluorophenyl]methanol
CID 113565889

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol?
The IUPAC name of [3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol (CID 116801968) is [3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol is CCCn1cc(Oc2c(F)cc(CO)cc2F)cn1.
What is the InChIKey of [3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol?
The InChIKey is HCAMIIICGUCYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-2-3-17-7-10(6-16-17)19-13-11(14)4-9(8-18)5-12(13)15/h4-7,18H,2-3,8H2,1H3.
What are the key properties of [3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol?
[3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol has a molecular weight of 268.26 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 116801968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).