[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine

C12H16ClN3OS — CID 105054688

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine
SMILESCOCCn1ncc(Cl)c1C(N)c1ccc(C)s1
InChIInChI=1S/C12H16ClN3OS/c1-8-3-4-10(18-8)11(14)12-9(13)7-15-16(12)5-6-17-2/h3-4,7,11H,5-6,14H2,1-2H3
InChIKeyRXZIPDIGGTXIED-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.60
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine (PubChem CID 105054688) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine
PubChem CID105054688
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine
SMILESCOCCn1ncc(Cl)c1C(N)c1ccc(C)s1
InChIInChI=1S/C12H16ClN3OS/c1-8-3-4-10(18-8)11(14)12-9(13)7-15-16(12)5-6-17-2/h3-4,7,11H,5-6,14H2,1-2H3
InChIKeyRXZIPDIGGTXIED-UHFFFAOYSA-N
XLogP2.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methylphenyl)methanamine
CID 114646785
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine
CID 114646633
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 105054441
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methanamine
CID 105054719
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine
CID 102804643
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanamine
CID 105189953
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxy-3-methylphenyl)methanamine
CID 114659332
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977808
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-difluorophenyl)methanamine
CID 114646619
(2-chloro-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 105054549

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine (CID 105054688) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine is COCCn1ncc(Cl)c1C(N)c1ccc(C)s1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine?
The InChIKey is RXZIPDIGGTXIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-8-3-4-10(18-8)11(14)12-9(13)7-15-16(12)5-6-17-2/h3-4,7,11H,5-6,14H2,1-2H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine has a molecular weight of 285.80 g/mol, XLogP of 2.60, 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]-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 105054688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).