3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol

C17H20N2O2 — CID 83137368

IUPAC3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
SMILESCCn1nc(C)cc1COc1ccc(C#CCO)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-4-19-16(11-14(3)18-19)12-21-17-8-7-15(6-5-9-20)13(2)10-17/h7-8,10-11,20H,4,9,12H2,1-3H3
InChIKeyYVAHNIBWGRYCMX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.44
Rot. Bonds4

About 3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol

3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol (PubChem CID 83137368) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
PubChem CID83137368
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
SMILESCCn1nc(C)cc1COc1ccc(C#CCO)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-4-19-16(11-14(3)18-19)12-21-17-8-7-15(6-5-9-20)13(2)10-17/h7-8,10-11,20H,4,9,12H2,1-3H3
InChIKeyYVAHNIBWGRYCMX-UHFFFAOYSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol (CID 83137368) is 3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol is CCn1nc(C)cc1COc1ccc(C#CCO)c(C)c1.
What is the InChIKey of 3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol?
The InChIKey is YVAHNIBWGRYCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-19-16(11-14(3)18-19)12-21-17-8-7-15(6-5-9-20)13(2)10-17/h7-8,10-11,20H,4,9,12H2,1-3H3.
What are the key properties of 3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol?
3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol has a molecular weight of 284.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 83137368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).