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

C14H14N2OS — CID 63976536

IUPAC1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1csc2ccccc12
InChIInChI=1S/C14H14N2OS/c1-2-16-12(7-8-15-16)14(17)11-9-18-13-6-4-3-5-10(11)13/h3-9,14,17H,2H2,1H3
InChIKeyMMBNPOSPKDNSDY-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.20
Rot. Bonds3

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

1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol (PubChem CID 63976536) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol
PubChem CID63976536
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1csc2ccccc12
InChIInChI=1S/C14H14N2OS/c1-2-16-12(7-8-15-16)14(17)11-9-18-13-6-4-3-5-10(11)13/h3-9,14,17H,2H2,1H3
InChIKeyMMBNPOSPKDNSDY-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.20
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-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
CID 740214
(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

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol (CID 63976536) is 1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is MMBNPOSPKDNSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-2-16-12(7-8-15-16)14(17)11-9-18-13-6-4-3-5-10(11)13/h3-9,14,17H,2H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol?
1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 258.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 63976536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).