[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol

C13H20BrN5OS — CID 105127904

IUPAC[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C13H20BrN5OS/c1-8(2)10-13(21-17-16-10)12(20)11-9(14)7-15-19(11)6-5-18(3)4/h7-8,12,20H,5-6H2,1-4H3
InChIKeyRILQCBFQXGDWNA-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.26
Rot. Bonds6

About [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105127904) has the molecular formula C13H20BrN5OS and a molecular weight of 374.31 g/mol. Its IUPAC name is [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105127904
Molecular FormulaC13H20BrN5OS
Molecular Weight374.31 g/mol
Exact Mass373.06
IUPAC Name[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C13H20BrN5OS/c1-8(2)10-13(21-17-16-10)12(20)11-9(14)7-15-19(11)6-5-18(3)4/h7-8,12,20H,5-6H2,1-4H3
InChIKeyRILQCBFQXGDWNA-UHFFFAOYSA-N
XLogP2.26
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-iodophenyl)methanol
CID 115834987
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol
CID 107124936
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dichlorothiophen-3-yl)methanol
CID 107969895
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2,2-trifluoroethanol
CID 114643507
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol
CID 114637331
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-ethylpyrazol-3-yl)methanol
CID 114638722
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105337391
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol
CID 114665884
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylfuran-3-yl)methanol
CID 114645515

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105127904) is [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol is CC(C)c1nnsc1C(O)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is RILQCBFQXGDWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5OS/c1-8(2)10-13(21-17-16-10)12(20)11-9(14)7-15-19(11)6-5-18(3)4/h7-8,12,20H,5-6H2,1-4H3.
What are the key properties of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol?
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 374.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105127904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).