1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol

C13H14BrClN2O2 — CID 105132444

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)c1c(Br)cnn1C
InChIInChI=1S/C13H14BrClN2O2/c1-8(19-10-5-3-4-9(15)6-10)13(18)12-11(14)7-16-17(12)2/h3-8,13,18H,1-2H3
InChIKeyWOWDZRRNAPVKHO-UHFFFAOYSA-N
MW345.62 g/mol
LogP3.34
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol

1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol (PubChem CID 105132444) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol
PubChem CID105132444
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)c1c(Br)cnn1C
InChIInChI=1S/C13H14BrClN2O2/c1-8(19-10-5-3-4-9(15)6-10)13(18)12-11(14)7-16-17(12)2/h3-8,13,18H,1-2H3
InChIKeyWOWDZRRNAPVKHO-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 106465641
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 105083696
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
CID 105182888
1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105119310
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110798
2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
CID 105103501
3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107078
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
[1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 106466368
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
[2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 105288679
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol (CID 105132444) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol is CC(Oc1cccc(Cl)c1)C(O)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol?
The InChIKey is WOWDZRRNAPVKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c1-8(19-10-5-3-4-9(15)6-10)13(18)12-11(14)7-16-17(12)2/h3-8,13,18H,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol?
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol has a molecular weight of 345.62 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol is sourced from PubChem (CID 105132444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).