(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

C14H12ClFN2OS — CID 105127742

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H12ClFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-6-8-5-9(16)3-4-11(8)20-12/h3-7,14,19H,2H2,1H3
InChIKeyJKAXBTHSBJRZIE-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.99
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 105127742) has the molecular formula C14H12ClFN2OS and a molecular weight of 310.78 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID105127742
Molecular FormulaC14H12ClFN2OS
Molecular Weight310.78 g/mol
Exact Mass310.03
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H12ClFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-6-8-5-9(16)3-4-11(8)20-12/h3-7,14,19H,2H2,1H3
InChIKeyJKAXBTHSBJRZIE-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-Chlorophenyl)-5-[5-(2,3-difluorophenyl)thiophen-2-yl]pyrazol-3-yl]ethanol
CID 143386077
3-[(4-Chloro-3-methylpyrazol-1-yl)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid
CID 64452344
3-[(4-Chloro-5-methylpyrazol-1-yl)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid
CID 64452564
1-(6-Fluoro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027812
1-(5-Fluoro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027848
1-(6-Fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027995
1-(5-Fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028030
(5-Fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 103138856
(5-Fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol
CID 105080761
(1-Ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105081817
1-(5-Fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 105082723
2-(1-Ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105082837

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (CID 105127742) is (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is CCn1ncc(Cl)c1C(O)c1cc2cc(F)ccc2s1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is JKAXBTHSBJRZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-6-8-5-9(16)3-4-11(8)20-12/h3-7,14,19H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 310.78 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 105127742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).