1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine

C19H21N3S — CID 66664885

IUPAC1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine
SMILESCNCc1cc(SCc2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H21N3S/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h2-12,20H,13-15H2,1H3
InChIKeyMOOIJSZBKALGOO-UHFFFAOYSA-N
MW323.47 g/mol
LogP3.94
Rot. Bonds7

About 1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine

1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 66664885) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine
PubChem CID66664885
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine
SMILESCNCc1cc(SCc2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H21N3S/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h2-12,20H,13-15H2,1H3
InChIKeyMOOIJSZBKALGOO-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine (CID 66664885) is 1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine is CNCc1cc(SCc2ccccc2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is MOOIJSZBKALGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h2-12,20H,13-15H2,1H3.
What are the key properties of 1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine?
1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 323.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-benzylsulfanylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 66664885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).