(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

C14H13FN2OS — CID 105098161

IUPAC(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCn1nccc1C(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H13FN2OS/c1-2-17-11(5-6-16-17)14(18)13-8-9-7-10(15)3-4-12(9)19-13/h3-8,14,18H,2H2,1H3
InChIKeyOCXWQSPACRADPF-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.34
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 105098161) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID105098161
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCn1nccc1C(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H13FN2OS/c1-2-17-11(5-6-16-17)14(18)13-8-9-7-10(15)3-4-12(9)19-13/h3-8,14,18H,2H2,1H3
InChIKeyOCXWQSPACRADPF-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](1-benzothiophen-3-yl)methanol
CID 10048339
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](thiophen-3-yl)methanol
CID 10317646
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](thiophen-3-yl)methanol
CID 10407417
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](1-benzothiophen-3-yl)methanol
CID 10410448
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](1-benzothiophen-3-yl)methanol
CID 10478638
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](1-benzothiophen-2-yl)methanol
CID 23648197
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](1-benzothiophen-2-yl)methanol
CID 23648198
Cyclopenta[f]indazole, 15
CID 23648199
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](1-benzothiophen-3-yl)methanol
CID 23648200
(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164
Benzo[b]thiophen-3-yl-[(4aR,5S)-1-(4-fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-methanol
CID 44394927
(R)-[(4aR)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(1-benzothiophen-3-yl)methanol
CID 45486455

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (CID 105098161) is (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is CCn1nccc1C(O)c1cc2cc(F)ccc2s1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is OCXWQSPACRADPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-2-17-11(5-6-16-17)14(18)13-8-9-7-10(15)3-4-12(9)19-13/h3-8,14,18H,2H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 276.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 105098161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).