2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol

C13H16N2O2 — CID 50949868

IUPAC2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol
SMILESCOc1ccc(-n2cc(CCO)cn2)cc1C
InChIInChI=1S/C13H16N2O2/c1-10-7-12(3-4-13(10)17-2)15-9-11(5-6-16)8-14-15/h3-4,7-9,16H,5-6H2,1-2H3
InChIKeyOIELSKAUOUZXKP-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.72
Rot. Bonds4

About 2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol

2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol (PubChem CID 50949868) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol
PubChem CID50949868
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol
SMILESCOc1ccc(-n2cc(CCO)cn2)cc1C
InChIInChI=1S/C13H16N2O2/c1-10-7-12(3-4-13(10)17-2)15-9-11(5-6-16)8-14-15/h3-4,7-9,16H,5-6H2,1-2H3
InChIKeyOIELSKAUOUZXKP-UHFFFAOYSA-N
XLogP1.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Niraxostat
CID 449035
[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
(1S)-1-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]ethanol
CID 164621667
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
1-(3-Cyano-4-isobutoxyphenyl)pyrazole-4-carboxylic acid
CID 15407382
1-(4-Butoxy-3-cyanophenyl)pyrazole-4-carboxylic acid
CID 15407387
1-(4-Methoxyphenyl)-1H-pyrazole
CID 12238131
[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 977051
3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 16189228
1-(1-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)-1-propanol
CID 16190220

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol (CID 50949868) is 2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol is COc1ccc(-n2cc(CCO)cn2)cc1C.
What is the InChIKey of 2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol?
The InChIKey is OIELSKAUOUZXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-7-12(3-4-13(10)17-2)15-9-11(5-6-16)8-14-15/h3-4,7-9,16H,5-6H2,1-2H3.
What are the key properties of 2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol?
2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol has a molecular weight of 232.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxy-3-methylphenyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 50949868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).