1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol

C14H17BrN2O2 — CID 109411726

IUPAC1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)Cn2cc(Br)cn2)c1
InChIInChI=1S/C14H17BrN2O2/c1-10-3-11(2)5-14(4-10)19-9-13(18)8-17-7-12(15)6-16-17/h3-7,13,18H,8-9H2,1-2H3
InChIKeyMJWMGKQFPHELII-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.70
Rot. Bonds5

About 1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol

1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol (PubChem CID 109411726) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
PubChem CID109411726
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)Cn2cc(Br)cn2)c1
InChIInChI=1S/C14H17BrN2O2/c1-10-3-11(2)5-14(4-10)19-9-13(18)8-17-7-12(15)6-16-17/h3-7,13,18H,8-9H2,1-2H3
InChIKeyMJWMGKQFPHELII-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 62266674
ethyl 4-(4-bromopyrazol-1-yl)-3-hydroxybutanoate
CID 82775509
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3386373
1-(3,5-dimethylphenoxy)-3-(3-phenyl-1,2,4-triazol-1-yl)propan-2-ol
CID 111476974
1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 75389459
(2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 97243193
2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol
CID 115051707
1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
CID 109412072
1-(3,5-dimethylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 110887833
(2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 97327165
1-(3,5-dimethylphenoxy)-3-(4-nitroimidazol-1-yl)propan-2-ol
CID 110888388

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol (CID 109411726) is 1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol is Cc1cc(C)cc(OCC(O)Cn2cc(Br)cn2)c1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol?
The InChIKey is MJWMGKQFPHELII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10-3-11(2)5-14(4-10)19-9-13(18)8-17-7-12(15)6-16-17/h3-7,13,18H,8-9H2,1-2H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol?
1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol has a molecular weight of 325.21 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 109411726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).