1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol

C14H17BrN2O2 — CID 114645963

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
SMILESCCn1ncc(Br)c1C(O)C(OC)c1ccccc1
InChIInChI=1S/C14H17BrN2O2/c1-3-17-12(11(15)9-16-17)13(18)14(19-2)10-7-5-4-6-8-10/h4-9,13-14,18H,3H2,1-2H3
InChIKeyANFXBPYLLMLXSX-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.09
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol

1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol (PubChem CID 114645963) 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-methoxy-2-phenylethanol.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
PubChem CID114645963
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
SMILESCCn1ncc(Br)c1C(O)C(OC)c1ccccc1
InChIInChI=1S/C14H17BrN2O2/c1-3-17-12(11(15)9-16-17)13(18)14(19-2)10-7-5-4-6-8-10/h4-9,13-14,18H,3H2,1-2H3
InChIKeyANFXBPYLLMLXSX-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645968
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645960
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 114662155
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine
CID 114662162
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethyl]hydrazine
CID 105279178
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine
CID 114662146
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636384
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336192
2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol
CID 109412003

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol (CID 114645963) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol is CCn1ncc(Br)c1C(O)C(OC)c1ccccc1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
The InChIKey is ANFXBPYLLMLXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-17-12(11(15)9-16-17)13(18)14(19-2)10-7-5-4-6-8-10/h4-9,13-14,18H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol has a molecular weight of 325.21 g/mol, XLogP of 3.09, 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-methoxy-2-phenylethanol is sourced from PubChem (CID 114645963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).