1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol

C14H17BrN2O2 — CID 114643089

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol
SMILESCCn1ncc(Br)c1C(O)Cc1cccc(OC)c1
InChIInChI=1S/C14H17BrN2O2/c1-3-17-14(12(15)9-16-17)13(18)8-10-5-4-6-11(7-10)19-2/h4-7,9,13,18H,3,8H2,1-2H3
InChIKeyWAJRAMVCIWZDAX-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.95
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol (PubChem CID 114643089) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol
PubChem CID114643089
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol
SMILESCCn1ncc(Br)c1C(O)Cc1cccc(OC)c1
InChIInChI=1S/C14H17BrN2O2/c1-3-17-14(12(15)9-16-17)13(18)8-10-5-4-6-11(7-10)19-2/h4-7,9,13,18H,3,8H2,1-2H3
InChIKeyWAJRAMVCIWZDAX-UHFFFAOYSA-N
XLogP2.95
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 114644859
1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648363
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648348
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648364
1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105127674
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-methoxyphenyl)ethanol
CID 114643108
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510
4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
CID 115576901
2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66060151
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)-N-methylmethanamine
CID 105183041

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol (CID 114643089) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol is CCn1ncc(Br)c1C(O)Cc1cccc(OC)c1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol?
The InChIKey is WAJRAMVCIWZDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-17-14(12(15)9-16-17)13(18)8-10-5-4-6-11(7-10)19-2/h4-7,9,13,18H,3,8H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol has a molecular weight of 325.21 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 114643089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).