1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol

C15H20N2O2 — CID 62126980

IUPAC1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCCn1cc(CC(O)Cc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H20N2O2/c1-3-17-11-13(10-16-17)9-14(18)8-12-4-6-15(19-2)7-5-12/h4-7,10-11,14,18H,3,8-9H2,1-2H3
InChIKeyVHTXOHAOLUXOKR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.06
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol

1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol (PubChem CID 62126980) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
PubChem CID62126980
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCCn1cc(CC(O)Cc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H20N2O2/c1-3-17-11-13(10-16-17)9-14(18)8-12-4-6-15(19-2)7-5-12/h4-7,10-11,14,18H,3,8-9H2,1-2H3
InChIKeyVHTXOHAOLUXOKR-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62126609
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 62125731
1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63894409
1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
CID 105082825
1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822910
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-methoxyphenyl)ethanol
CID 114643108
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1-(1-ethylpyrazol-4-yl)-4-ethylsulfanylbutan-2-ol
CID 116504737
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001952
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
CID 65141783

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol (CID 62126980) is 1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol is CCn1cc(CC(O)Cc2ccc(OC)cc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol?
The InChIKey is VHTXOHAOLUXOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-17-11-13(10-16-17)9-14(18)8-12-4-6-15(19-2)7-5-12/h4-7,10-11,14,18H,3,8-9H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol?
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 62126980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).