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

C15H19BrN2O2 — CID 114645968

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol
SMILESCCCn1ncc(Br)c1C(O)C(OC)c1ccccc1
InChIInChI=1S/C15H19BrN2O2/c1-3-9-18-13(12(16)10-17-18)14(19)15(20-2)11-7-5-4-6-8-11/h4-8,10,14-15,19H,3,9H2,1-2H3
InChIKeyQKQMPJXCGPDZFQ-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.48
Rot. Bonds6

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

1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol (PubChem CID 114645968) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol
PubChem CID114645968
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol
SMILESCCCn1ncc(Br)c1C(O)C(OC)c1ccccc1
InChIInChI=1S/C15H19BrN2O2/c1-3-9-18-13(12(16)10-17-18)14(19)15(20-2)11-7-5-4-6-8-11/h4-8,10,14-15,19H,3,9H2,1-2H3
InChIKeyQKQMPJXCGPDZFQ-UHFFFAOYSA-N
XLogP3.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645963
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethyl]hydrazine
CID 105279178
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645960
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 114662155
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
CID 114634115
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethyl-2-methoxybutan-1-ol
CID 114645774
[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336660
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol (CID 114645968) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol is CCCn1ncc(Br)c1C(O)C(OC)c1ccccc1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
The InChIKey is QKQMPJXCGPDZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-3-9-18-13(12(16)10-17-18)14(19)15(20-2)11-7-5-4-6-8-11/h4-8,10,14-15,19H,3,9H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol has a molecular weight of 339.23 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol is sourced from PubChem (CID 114645968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).