N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine

C15H21N3S — CID 118794345

IUPACN-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine
SMILESCc1ccc(SCCN(C)CCn2cccn2)cc1
InChIInChI=1S/C15H21N3S/c1-14-4-6-15(7-5-14)19-13-12-17(2)10-11-18-9-3-8-16-18/h3-9H,10-13H2,1-2H3
InChIKeyUTACJDHFEVAFCG-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.92
Rot. Bonds7

About N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine

N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine (PubChem CID 118794345) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine
PubChem CID118794345
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine
SMILESCc1ccc(SCCN(C)CCn2cccn2)cc1
InChIInChI=1S/C15H21N3S/c1-14-4-6-15(7-5-14)19-13-12-17(2)10-11-18-9-3-8-16-18/h3-9H,10-13H2,1-2H3
InChIKeyUTACJDHFEVAFCG-UHFFFAOYSA-N
XLogP2.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[3-(4-methylphenyl)sulfanylpropyl]-3-(2-pyrazol-1-ylethyl)urea
CID 119064443
4-(2-pyrazol-1-ylethylsulfanyl)aniline
CID 61491879
N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 30460364
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 30462605
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 30460361
3-[methyl(2-pyrazol-1-ylethyl)amino]propanenitrile
CID 61491798
2-methyl-4-(2-pyrazol-1-ylethylsulfanyl)aniline
CID 79148371
N-methyl-2-piperazin-1-yl-N-(2-pyrazol-1-ylethyl)ethanamine
CID 63266461
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine
CID 79319585
N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
CID 62592776
3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide
CID 61491625

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine (CID 118794345) is N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine is Cc1ccc(SCCN(C)CCn2cccn2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine?
The InChIKey is UTACJDHFEVAFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-14-4-6-15(7-5-14)19-13-12-17(2)10-11-18-9-3-8-16-18/h3-9H,10-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine?
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine has a molecular weight of 275.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 118794345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).