N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine

C14H19Cl2N3OS — CID 107969232

IUPACN-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
SMILESCCCn1ncc(OC)c1C(NCC)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H19Cl2N3OS/c1-4-6-19-13(10(20-3)8-18-19)12(17-5-2)9-7-11(15)21-14(9)16/h7-8,12,17H,4-6H2,1-3H3
InChIKeyLAHIRUZJNRSLIJ-UHFFFAOYSA-N
MW348.30 g/mol
LogP4.37
Rot. Bonds7

About N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine

N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine (PubChem CID 107969232) has the molecular formula C14H19Cl2N3OS and a molecular weight of 348.30 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
PubChem CID107969232
Molecular FormulaC14H19Cl2N3OS
Molecular Weight348.30 g/mol
Exact Mass347.06
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
SMILESCCCn1ncc(OC)c1C(NCC)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H19Cl2N3OS/c1-4-6-19-13(10(20-3)8-18-19)12(17-5-2)9-7-11(15)21-14(9)16/h7-8,12,17H,4-6H2,1-3H3
InChIKeyLAHIRUZJNRSLIJ-UHFFFAOYSA-N
XLogP4.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969129
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048857
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105187101
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660721
N-[(2,5-dichloro-4-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107961285
(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048861
[(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 107970637
1-(2,4-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048863
N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114652303
(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969104
N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 106693238

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine (CID 107969232) is N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine is CCCn1ncc(OC)c1C(NCC)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is LAHIRUZJNRSLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3OS/c1-4-6-19-13(10(20-3)8-18-19)12(17-5-2)9-7-11(15)21-14(9)16/h7-8,12,17H,4-6H2,1-3H3.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 348.30 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 107969232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).