(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol

C14H18N2O — CID 63895655

IUPAC(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(C)ccc2C)cn1
InChIInChI=1S/C14H18N2O/c1-4-16-9-12(8-15-16)14(17)13-7-10(2)5-6-11(13)3/h5-9,14,17H,4H2,1-3H3
InChIKeyJFGHJBLEOQEALI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.60
Rot. Bonds3

About (2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol

(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 63895655) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID63895655
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(C)ccc2C)cn1
InChIInChI=1S/C14H18N2O/c1-4-16-9-12(8-15-16)14(17)13-7-10(2)5-6-11(13)3/h5-9,14,17H,4H2,1-3H3
InChIKeyJFGHJBLEOQEALI-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol (CID 63895655) is (2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cc(C)ccc2C)cn1.
What is the InChIKey of (2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is JFGHJBLEOQEALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-16-9-12(8-15-16)14(17)13-7-10(2)5-6-11(13)3/h5-9,14,17H,4H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol?
(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 230.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 63895655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).