(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol

C15H14ClFN2OS — CID 115835163

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H14ClFN2OS/c1-8(2)19-14(11(16)7-18-19)15(20)13-5-9-3-4-10(17)6-12(9)21-13/h3-8,15,20H,1-2H3
InChIKeyPJUYSQUGMXGRQR-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.55
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 115835163) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID115835163
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H14ClFN2OS/c1-8(2)19-14(11(16)7-18-19)15(20)13-5-9-3-4-10(17)6-12(9)21-13/h3-8,15,20H,1-2H3
InChIKeyPJUYSQUGMXGRQR-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643216
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 114634816
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
CID 114643499
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanol
CID 114635272
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 114635032
(5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634295
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780349
2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117122437
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104251
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol
CID 114634943

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol (CID 115835163) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol is CC(C)n1ncc(Cl)c1C(O)c1cc2ccc(F)cc2s1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is PJUYSQUGMXGRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c1-8(2)19-14(11(16)7-18-19)15(20)13-5-9-3-4-10(17)6-12(9)21-13/h3-8,15,20H,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 324.81 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 115835163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).