N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine

C13H17N3S — CID 61385294

IUPACN-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
SMILESCNC(C)c1ccccc1Sc1cnn(C)c1
InChIInChI=1S/C13H17N3S/c1-10(14-2)12-6-4-5-7-13(12)17-11-8-15-16(3)9-11/h4-10,14H,1-3H3
InChIKeyMJZUKFVYKAVAFX-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.85
Rot. Bonds4

About N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine

N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine (PubChem CID 61385294) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
PubChem CID61385294
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
SMILESCNC(C)c1ccccc1Sc1cnn(C)c1
InChIInChI=1S/C13H17N3S/c1-10(14-2)12-6-4-5-7-13(12)17-11-8-15-16(3)9-11/h4-10,14H,1-3H3
InChIKeyMJZUKFVYKAVAFX-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 61385255
(1S)-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 63835113
4-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384658
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 61033157
1-[4-bromo-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 82973683
(1S)-1-[3-fluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 78938882
(1S)-1-[3-chloro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 78938909
4-cyclopropyl-3-[2-[1-(methylamino)ethyl]phenyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 62884640
4-bromo-2-(1-methylpyrazol-4-yl)sulfanylbenzonitrile
CID 114905007
4-bromo-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 65342219
5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384655
N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 43286135

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine (CID 61385294) is N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine is CNC(C)c1ccccc1Sc1cnn(C)c1.
What is the InChIKey of N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine?
The InChIKey is MJZUKFVYKAVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(14-2)12-6-4-5-7-13(12)17-11-8-15-16(3)9-11/h4-10,14H,1-3H3.
What are the key properties of N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine?
N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 61385294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).