1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine

C14H20ClN3S — CID 103406541

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
SMILESCCn1nc(C)cc1CC(NC)c1scc(C)c1Cl
InChIInChI=1S/C14H20ClN3S/c1-5-18-11(6-10(3)17-18)7-12(16-4)14-13(15)9(2)8-19-14/h6,8,12,16H,5,7H2,1-4H3
InChIKeyDABDKDNJYCKCRH-UHFFFAOYSA-N
MW297.86 g/mol
LogP3.74
Rot. Bonds5

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine

1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine (PubChem CID 103406541) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
PubChem CID103406541
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
SMILESCCn1nc(C)cc1CC(NC)c1scc(C)c1Cl
InChIInChI=1S/C14H20ClN3S/c1-5-18-11(6-10(3)17-18)7-12(16-4)14-13(15)9(2)8-19-14/h6,8,12,16H,5,7H2,1-4H3
InChIKeyDABDKDNJYCKCRH-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105002642
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylethanamine
CID 103406533
2-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105162307
1-(2,6-dimethyl-4-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 107503544
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002532
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 103408103
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 103407151
2-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105002740
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105002673
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 103406934
1-(3-chlorothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002800
1-(3-bromo-5-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002588

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine (CID 103406541) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine is CCn1nc(C)cc1CC(NC)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine?
The InChIKey is DABDKDNJYCKCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-5-18-11(6-10(3)17-18)7-12(16-4)14-13(15)9(2)8-19-14/h6,8,12,16H,5,7H2,1-4H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine has a molecular weight of 297.86 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 103406541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).