(4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol

C10H12BrN3O2S — CID 114102815

IUPAC(4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
SMILESCOc1c(C(O)c2scnc2Br)c(C)nn1C
InChIInChI=1S/C10H12BrN3O2S/c1-5-6(10(16-3)14(2)13-5)7(15)8-9(11)12-4-17-8/h4,7,15H,1-3H3
InChIKeyZKJJCEVFSMZBCE-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.04
Rot. Bonds3

About (4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol

(4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 114102815) has the molecular formula C10H12BrN3O2S and a molecular weight of 318.20 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
PubChem CID114102815
Molecular FormulaC10H12BrN3O2S
Molecular Weight318.20 g/mol
Exact Mass316.98
IUPAC Name(4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
SMILESCOc1c(C(O)c2scnc2Br)c(C)nn1C
InChIInChI=1S/C10H12BrN3O2S/c1-5-6(10(16-3)14(2)13-5)7(15)8-9(11)12-4-17-8/h4,7,15H,1-3H3
InChIKeyZKJJCEVFSMZBCE-UHFFFAOYSA-N
XLogP2.04
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
CID 106651334
5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid
CID 106946225
3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
CID 102646637
(1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol
CID 96859628
3-ethyl-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol
CID 82929019
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol
CID 107892711
(4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol
CID 114102812
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-pyrrolidin-1-ylacetonitrile
CID 113463488
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106464896
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 84599576
(4-bromo-1,3-thiazol-5-yl)-(3-propan-2-yloxyphenyl)methanol
CID 114102793
5-methoxy-1,3-dimethylpyrazole-4-carbothioamide
CID 63756722

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of (4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol (CID 114102815) is (4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for (4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol is COc1c(C(O)c2scnc2Br)c(C)nn1C.
What is the InChIKey of (4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is ZKJJCEVFSMZBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2S/c1-5-6(10(16-3)14(2)13-5)7(15)8-9(11)12-4-17-8/h4,7,15H,1-3H3.
What are the key properties of (4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
(4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 318.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 114102815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).