3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol

C14H18N2O2 — CID 163514415

IUPAC3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol
SMILESCc1nn(C)c(Oc2cccc(O)c2)c1C(C)C
InChIInChI=1S/C14H18N2O2/c1-9(2)13-10(3)15-16(4)14(13)18-12-7-5-6-11(17)8-12/h5-9,17H,1-4H3
InChIKeyDFLXCLUVLQSXHK-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.35
Rot. Bonds3

About 3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol

3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol (PubChem CID 163514415) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol.

Molecular Properties

Compound Name3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol
PubChem CID163514415
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol
SMILESCc1nn(C)c(Oc2cccc(O)c2)c1C(C)C
InChIInChI=1S/C14H18N2O2/c1-9(2)13-10(3)15-16(4)14(13)18-12-7-5-6-11(17)8-12/h5-9,17H,1-4H3
InChIKeyDFLXCLUVLQSXHK-UHFFFAOYSA-N
XLogP3.35
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol?
The IUPAC name of 3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol (CID 163514415) is 3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol.
What is the SMILES notation for 3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol?
The canonical SMILES for 3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol is Cc1nn(C)c(Oc2cccc(O)c2)c1C(C)C.
What is the InChIKey of 3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol?
The InChIKey is DFLXCLUVLQSXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)13-10(3)15-16(4)14(13)18-12-7-5-6-11(17)8-12/h5-9,17H,1-4H3.
What are the key properties of 3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol?
3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol has a molecular weight of 246.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)oxyphenol is sourced from PubChem (CID 163514415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).