(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol

C15H17ClN2OS — CID 105128520

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)C1CSc2ccccc21
InChIInChI=1S/C15H17ClN2OS/c1-2-7-18-14(12(16)8-17-18)15(19)11-9-20-13-6-4-3-5-10(11)13/h3-6,8,11,15,19H,2,7,9H2,1H3
InChIKeyDGNCKGDDVMGSCH-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.87
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol

(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol (PubChem CID 105128520) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
PubChem CID105128520
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)C1CSc2ccccc21
InChIInChI=1S/C15H17ClN2OS/c1-2-7-18-14(12(16)8-17-18)15(19)11-9-20-13-6-4-3-5-10(11)13/h3-6,8,11,15,19H,2,7,9H2,1H3
InChIKeyDGNCKGDDVMGSCH-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanol
CID 106601012
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109800
2,3-dihydro-1-benzothiophen-3-yl-(3-propyltriazol-4-yl)methanamine
CID 105182209
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
(4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 114651447
(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
CID 114644031
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459015
2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114643271
2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol
CID 103138798
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105132699
(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105397717

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol (CID 105128520) is (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol is CCCn1ncc(Cl)c1C(O)C1CSc2ccccc21.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The InChIKey is DGNCKGDDVMGSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-7-18-14(12(16)8-17-18)15(19)11-9-20-13-6-4-3-5-10(11)13/h3-6,8,11,15,19H,2,7,9H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol has a molecular weight of 308.83 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 105128520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).