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

C14H20BrN3OS — CID 105048861

IUPACN-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
SMILESCCCn1ncc(OC)c1C(NCC)c1sccc1Br
InChIInChI=1S/C14H20BrN3OS/c1-4-7-18-13(11(19-3)9-17-18)12(16-5-2)14-10(15)6-8-20-14/h6,8-9,12,16H,4-5,7H2,1-3H3
InChIKeyAPIRQCLSSLYWSW-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.82
Rot. Bonds7

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

N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine (PubChem CID 105048861) has the molecular formula C14H20BrN3OS and a molecular weight of 358.31 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
PubChem CID105048861
Molecular FormulaC14H20BrN3OS
Molecular Weight358.31 g/mol
Exact Mass357.05
IUPAC NameN-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
SMILESCCCn1ncc(OC)c1C(NCC)c1sccc1Br
InChIInChI=1S/C14H20BrN3OS/c1-4-7-18-13(11(19-3)9-17-18)12(16-5-2)14-10(15)6-8-20-14/h6,8-9,12,16H,4-5,7H2,1-3H3
InChIKeyAPIRQCLSSLYWSW-UHFFFAOYSA-N
XLogP3.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048698
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105042817
[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339439
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105187101
(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660721
N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114652303
N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 107969232
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048857
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105041390
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 105054059
N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114646936

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine (CID 105048861) is N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine is CCCn1ncc(OC)c1C(NCC)c1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is APIRQCLSSLYWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3OS/c1-4-7-18-13(11(19-3)9-17-18)12(16-5-2)14-10(15)6-8-20-14/h6,8-9,12,16H,4-5,7H2,1-3H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 358.31 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105048861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).