N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine

C16H23N3OS — CID 105047825

IUPACN-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1SC)c1c(OC)cnn1CC
InChIInChI=1S/C16H23N3OS/c1-5-17-15(12-9-7-8-10-14(12)21-4)16-13(20-3)11-18-19(16)6-2/h7-11,15,17H,5-6H2,1-4H3
InChIKeyRMIJXVKYJNGNCO-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.33
Rot. Bonds7

About N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine

N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 105047825) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
PubChem CID105047825
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1SC)c1c(OC)cnn1CC
InChIInChI=1S/C16H23N3OS/c1-5-17-15(12-9-7-8-10-14(12)21-4)16-13(20-3)11-18-19(16)6-2/h7-11,15,17H,5-6H2,1-4H3
InChIKeyRMIJXVKYJNGNCO-UHFFFAOYSA-N
XLogP3.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 106693238
N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114646936
N-[(5-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114652680
N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 105048041
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 114222060
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660721
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-fluorophenyl)methyl]ethanamine
CID 114650671
N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 79212686
[(2,3-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339380
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089700
[(2,6-dimethyl-3-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339360

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine (CID 105047825) is N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine is CCNC(c1ccccc1SC)c1c(OC)cnn1CC.
What is the InChIKey of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is RMIJXVKYJNGNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-5-17-15(12-9-7-8-10-14(12)21-4)16-13(20-3)11-18-19(16)6-2/h7-11,15,17H,5-6H2,1-4H3.
What are the key properties of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine?
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 305.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 105047825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).