(2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol

C10H10Br2N2OS — CID 107969580

IUPAC(2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(Br)sc2Br)cn1
InChIInChI=1S/C10H10Br2N2OS/c1-2-14-5-6(4-13-14)9(15)7-3-8(11)16-10(7)12/h3-5,9,15H,2H2,1H3
InChIKeyHJDHUJBLQWVEOI-UHFFFAOYSA-N
MW366.08 g/mol
LogP3.57
Rot. Bonds3

About (2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol

(2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 107969580) has the molecular formula C10H10Br2N2OS and a molecular weight of 366.08 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID107969580
Molecular FormulaC10H10Br2N2OS
Molecular Weight366.08 g/mol
Exact Mass363.89
IUPAC Name(2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(Br)sc2Br)cn1
InChIInChI=1S/C10H10Br2N2OS/c1-2-14-5-6(4-13-14)9(15)7-3-8(11)16-10(7)12/h3-5,9,15H,2H2,1H3
InChIKeyHJDHUJBLQWVEOI-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 63901362
(2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 107969581
(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63895655
(4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol
CID 63893672
(1-ethylpyrazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895454
[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-(1-ethylpyrazol-4-yl)methanol
CID 164719159
(3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
CID 164718784
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894378
(2,4-difluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63083868
(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol
CID 107969950
(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol
CID 107969813
N-[(2,5-dibromothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107967975

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol (CID 107969580) is (2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cc(Br)sc2Br)cn1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is HJDHUJBLQWVEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2OS/c1-2-14-5-6(4-13-14)9(15)7-3-8(11)16-10(7)12/h3-5,9,15H,2H2,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
(2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 366.08 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 107969580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).