1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol

C16H20BrFN2O — CID 114833258

IUPAC1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCCn1nc(C)c(Br)c1CC(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C16H20BrFN2O/c1-4-20-14(15(17)11(2)19-20)10-16(3,21)9-12-6-5-7-13(18)8-12/h5-8,21H,4,9-10H2,1-3H3
InChIKeyBEKYTHBRESTJND-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol

1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 114833258) has the molecular formula C16H20BrFN2O and a molecular weight of 355.25 g/mol. Its IUPAC name is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
PubChem CID114833258
Molecular FormulaC16H20BrFN2O
Molecular Weight355.25 g/mol
Exact Mass354.07
IUPAC Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
SMILESCCn1nc(C)c(Br)c1CC(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C16H20BrFN2O/c1-4-20-14(15(17)11(2)19-20)10-16(3,21)9-12-6-5-7-13(18)8-12/h5-8,21H,4,9-10H2,1-3H3
InChIKeyBEKYTHBRESTJND-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833403
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833226
1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833280
4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol
CID 83075949
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79440988
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-methylhex-5-en-2-ol
CID 113437939
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,4-dimethylpentan-3-ol
CID 112743442
2-benzyl-1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)butan-2-amine
CID 79025813
1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046487
4-bromo-1-ethyl-5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-3-methylpyrazole
CID 79460887
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol (CID 114833258) is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol is CCn1nc(C)c(Br)c1CC(C)(O)Cc1cccc(F)c1.
What is the InChIKey of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is BEKYTHBRESTJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O/c1-4-20-14(15(17)11(2)19-20)10-16(3,21)9-12-6-5-7-13(18)8-12/h5-8,21H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol?
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 355.25 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114833258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).