(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol

C16H22N2O2 — CID 79025693

IUPAC(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1cc(C)nn1CC
InChIInChI=1S/C16H22N2O2/c1-4-15(19)14-8-6-7-9-16(14)20-11-13-10-12(3)17-18(13)5-2/h6-10,15,19H,4-5,11H2,1-3H3/t15-/m0/s1
InChIKeyIZGSDUYMKORCPF-HNNXBMFYSA-N
MW274.36 g/mol
LogP3.23
Rot. Bonds6

About (1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol

(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol (PubChem CID 79025693) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
PubChem CID79025693
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1cc(C)nn1CC
InChIInChI=1S/C16H22N2O2/c1-4-15(19)14-8-6-7-9-16(14)20-11-13-10-12(3)17-18(13)5-2/h6-10,15,19H,4-5,11H2,1-3H3/t15-/m0/s1
InChIKeyIZGSDUYMKORCPF-HNNXBMFYSA-N
XLogP3.23
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol (CID 79025693) is (1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OCc1cc(C)nn1CC.
What is the InChIKey of (1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol?
The InChIKey is IZGSDUYMKORCPF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-15(19)14-8-6-7-9-16(14)20-11-13-10-12(3)17-18(13)5-2/h6-10,15,19H,4-5,11H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol?
(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 79025693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).