(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol

C14H18N2O2 — CID 114066991

IUPAC(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Oc2cnn(CC)c2)cc1
InChIInChI=1S/C14H18N2O2/c1-3-14(17)11-5-7-12(8-6-11)18-13-9-15-16(4-2)10-13/h5-10,14,17H,3-4H2,1-2H3/t14-/m0/s1
InChIKeyIWXIZOVYQXFIMW-AWEZNQCLSA-N
MW246.31 g/mol
LogP3.14
Rot. Bonds5

About (1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol

(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol (PubChem CID 114066991) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
PubChem CID114066991
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Oc2cnn(CC)c2)cc1
InChIInChI=1S/C14H18N2O2/c1-3-14(17)11-5-7-12(8-6-11)18-13-9-15-16(4-2)10-13/h5-10,14,17H,3-4H2,1-2H3/t14-/m0/s1
InChIKeyIWXIZOVYQXFIMW-AWEZNQCLSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801665
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801948
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801944
1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine
CID 116801689
[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol
CID 116801965
2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 103570009
4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835
2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 63894691
1-ethyl-4-(2-methylbutoxy)pyrazole
CID 116804469
(1S)-1-[4-(3-iodophenoxy)phenyl]propan-1-ol
CID 114066983

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol (CID 114066991) is (1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol is CC[C@H](O)c1ccc(Oc2cnn(CC)c2)cc1.
What is the InChIKey of (1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol?
The InChIKey is IWXIZOVYQXFIMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-14(17)11-5-7-12(8-6-11)18-13-9-15-16(4-2)10-13/h5-10,14,17H,3-4H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol?
(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol is sourced from PubChem (CID 114066991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).