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

C15H21N3S — CID 77084279

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)Cc1ccccc1SC
InChIInChI=1S/C15H21N3S/c1-4-18(11-13-9-16-17(2)10-13)12-14-7-5-6-8-15(14)19-3/h5-10H,4,11-12H2,1-3H3
InChIKeyPMZPNFBUBVRGEB-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.16
Rot. Bonds6

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

N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 77084279) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine
PubChem CID77084279
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)Cc1ccccc1SC
InChIInChI=1S/C15H21N3S/c1-4-18(11-13-9-16-17(2)10-13)12-14-7-5-6-8-15(14)19-3/h5-10H,4,11-12H2,1-3H3
InChIKeyPMZPNFBUBVRGEB-UHFFFAOYSA-N
XLogP3.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 62125850
1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 110913203
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62126875
ethane;4-ethyl-1-methylpyrazole
CID 143829284
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile
CID 46989853
N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 25286799
(2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 28954876
2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 119863717
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 111537345

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine (CID 77084279) is N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine is CCN(Cc1cnn(C)c1)Cc1ccccc1SC.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is PMZPNFBUBVRGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-18(11-13-9-16-17(2)10-13)12-14-7-5-6-8-15(14)19-3/h5-10H,4,11-12H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 77084279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).