[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine

C15H18ClN3OS — CID 105189937

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
SMILESCOCCn1ncc(Cl)c1C(N)C1Cc2ccccc2S1
InChIInChI=1S/C15H18ClN3OS/c1-20-7-6-19-15(11(16)9-18-19)14(17)13-8-10-4-2-3-5-12(10)21-13/h2-5,9,13-14H,6-8,17H2,1H3
InChIKeyRUMAIIUJAOLXMC-UHFFFAOYSA-N
MW323.85 g/mol
LogP2.90
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine (PubChem CID 105189937) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
PubChem CID105189937
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
SMILESCOCCn1ncc(Cl)c1C(N)C1Cc2ccccc2S1
InChIInChI=1S/C15H18ClN3OS/c1-20-7-6-19-15(11(16)9-18-19)14(17)13-8-10-4-2-3-5-12(10)21-13/h2-5,9,13-14H,6-8,17H2,1H3
InChIKeyRUMAIIUJAOLXMC-UHFFFAOYSA-N
XLogP2.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105132699
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 114659571
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
CID 114649068
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanamine
CID 114658538
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine
CID 105054688
2,3-dihydro-1-benzothiophen-2-yl-(3-ethyltriazol-4-yl)methanamine
CID 114213470
2-(2-bromophenyl)-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanamine
CID 114650067
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methylphenyl)methanamine
CID 114646785

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine (CID 105189937) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine is COCCn1ncc(Cl)c1C(N)C1Cc2ccccc2S1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The InChIKey is RUMAIIUJAOLXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-20-7-6-19-15(11(16)9-18-19)14(17)13-8-10-4-2-3-5-12(10)21-13/h2-5,9,13-14H,6-8,17H2,1H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine has a molecular weight of 323.85 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 105189937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).