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

C10H10Cl2N2OS — CID 107969581

IUPAC(2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(Cl)sc2Cl)cn1
InChIInChI=1S/C10H10Cl2N2OS/c1-2-14-5-6(4-13-14)9(15)7-3-8(11)16-10(7)12/h3-5,9,15H,2H2,1H3
InChIKeyOJPHAQDUOPEFHU-UHFFFAOYSA-N
MW277.18 g/mol
LogP3.35
Rot. Bonds3

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

(2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 107969581) has the molecular formula C10H10Cl2N2OS and a molecular weight of 277.18 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID107969581
Molecular FormulaC10H10Cl2N2OS
Molecular Weight277.18 g/mol
Exact Mass275.99
IUPAC Name(2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(Cl)sc2Cl)cn1
InChIInChI=1S/C10H10Cl2N2OS/c1-2-14-5-6(4-13-14)9(15)7-3-8(11)16-10(7)12/h3-5,9,15H,2H2,1H3
InChIKeyOJPHAQDUOPEFHU-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 53.35
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-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 107969580
(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63895655
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894378
(5-chlorofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol
CID 106693588
(1-ethylpyrazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895454
(2,4-difluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63083868
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969920
(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105081796
(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969729

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol (CID 107969581) is (2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cc(Cl)sc2Cl)cn1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is OJPHAQDUOPEFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2OS/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-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
(2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 277.18 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 107969581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).