N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine

C14H19N3S — CID 103015658

IUPACN-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine
SMILESCNCc1cccc(SCCc2ccnn2C)c1
InChIInChI=1S/C14H19N3S/c1-15-11-12-4-3-5-14(10-12)18-9-7-13-6-8-16-17(13)2/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeySFIBNXCEPUIFAS-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.47
Rot. Bonds6

About N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine

N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine (PubChem CID 103015658) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine
PubChem CID103015658
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine
SMILESCNCc1cccc(SCCc2ccnn2C)c1
InChIInChI=1S/C14H19N3S/c1-15-11-12-4-3-5-14(10-12)18-9-7-13-6-8-16-17(13)2/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeySFIBNXCEPUIFAS-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999612
2-[3-(methylaminomethyl)phenyl]sulfanylethanol
CID 66348986
N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694342
N-[(3-bromophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694451
N-methyl-1-[3-(3-methylbutylsulfanyl)phenyl]methanamine
CID 66347042
4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol
CID 103013437
N-methyl-1-[2-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methanamine
CID 103015761
N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine
CID 66347819
1-(3-but-3-enylsulfanylphenyl)-N-methylmethanamine
CID 66347044
4-[3-(methylaminomethyl)phenyl]sulfanylbutanenitrile
CID 66356239
N-methyl-1-[3-[2-(trifluoromethoxy)ethylsulfanyl]phenyl]methanamine
CID 66348029
N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine
CID 66346653

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine (CID 103015658) is N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine is CNCc1cccc(SCCc2ccnn2C)c1.
What is the InChIKey of N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine?
The InChIKey is SFIBNXCEPUIFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-15-11-12-4-3-5-14(10-12)18-9-7-13-6-8-16-17(13)2/h3-6,8,10,15H,7,9,11H2,1-2H3.
What are the key properties of N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine?
N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine has a molecular weight of 261.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 103015658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).