(4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol

C10H10BrClN2OS — CID 102830180

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H10BrClN2OS/c1-2-14-7(3-4-13-14)9(15)8-5-6(11)10(12)16-8/h3-5,9,15H,2H2,1H3
InChIKeyQIEXOWSEAIKCAC-UHFFFAOYSA-N
MW321.63 g/mol
LogP3.46
Rot. Bonds3

About (4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol (PubChem CID 102830180) has the molecular formula C10H10BrClN2OS and a molecular weight of 321.63 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
PubChem CID102830180
Molecular FormulaC10H10BrClN2OS
Molecular Weight321.63 g/mol
Exact Mass319.94
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H10BrClN2OS/c1-2-14-7(3-4-13-14)9(15)8-5-6(11)10(12)16-8/h3-5,9,15H,2H2,1H3
InChIKeyQIEXOWSEAIKCAC-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.63
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Fluorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 130594771
2-[(5-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine
CID 9798196
2-[(4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine
CID 9798197
(2-methyl-2H-pyrazole-3-yl)-thiophene-2-yl-methanol
CID 11528509
(4-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11536370
(5-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11587150
(1-Methyl-1H-pyrazol-5-yl)(3-methylthiophen-2-yl)methanol
CID 11600915
(2-Methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanol
CID 21909082
(R)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939245
(S)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939249
(2-Methylpyrazol-3-yl)-(4-methylthiophen-2-yl)methanol
CID 69789370
(3-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 115381011

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol (CID 102830180) is (4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is QIEXOWSEAIKCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2OS/c1-2-14-7(3-4-13-14)9(15)8-5-6(11)10(12)16-8/h3-5,9,15H,2H2,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 321.63 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 102830180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).