1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol

C13H14ClFN2O2 — CID 109411962

IUPAC1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1c(Cl)cnn1CC(O)COc1ccc(F)cc1
InChIInChI=1S/C13H14ClFN2O2/c1-9-13(14)6-16-17(9)7-11(18)8-19-12-4-2-10(15)3-5-12/h2-6,11,18H,7-8H2,1H3
InChIKeyRANOMSLRNWYVOK-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol

1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 109411962) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
PubChem CID109411962
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1c(Cl)cnn1CC(O)COc1ccc(F)cc1
InChIInChI=1S/C13H14ClFN2O2/c1-9-13(14)6-16-17(9)7-11(18)8-19-12-4-2-10(15)3-5-12/h2-6,11,18H,7-8H2,1H3
InChIKeyRANOMSLRNWYVOK-UHFFFAOYSA-N
XLogP2.42
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol
CID 138020565
1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 86807083
(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 97243258
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 7347345
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 109411972
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
2-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 60612567

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol (CID 109411962) is 1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol is Cc1c(Cl)cnn1CC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is RANOMSLRNWYVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-9-13(14)6-16-17(9)7-11(18)8-19-12-4-2-10(15)3-5-12/h2-6,11,18H,7-8H2,1H3.
What are the key properties of 1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 284.72 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 109411962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).