N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine

C14H20N4OS — CID 63804934

IUPACN-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1Sc1ccccn1
InChIInChI=1S/C14H20N4OS/c1-11-12(10-15-8-9-19-3)14(18(2)17-11)20-13-6-4-5-7-16-13/h4-7,15H,8-10H2,1-3H3
InChIKeyNWMZSFKGFKATLQ-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.01
Rot. Bonds7

About N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine

N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 63804934) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID63804934
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1Sc1ccccn1
InChIInChI=1S/C14H20N4OS/c1-11-12(10-15-8-9-19-3)14(18(2)17-11)20-13-6-4-5-7-16-13/h4-7,15H,8-10H2,1-3H3
InChIKeyNWMZSFKGFKATLQ-UHFFFAOYSA-N
XLogP2.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 63807050
N-[[5-(2-chlorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63804911
N-[[1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63806969
2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine
CID 63819797
2-methoxy-N-[[5-(3-methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63856362
N-[[1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 115383862
3-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol
CID 66137994
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
N-[[5-(cyclopentylmethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63812715
N-[[5-(azocan-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060889
1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 63805670
N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62746727

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine (CID 63804934) is N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine is COCCNCc1c(C)nn(C)c1Sc1ccccn1.
What is the InChIKey of N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is NWMZSFKGFKATLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-11-12(10-15-8-9-19-3)14(18(2)17-11)20-13-6-4-5-7-16-13/h4-7,15H,8-10H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine?
N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 292.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63804934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).