N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline

C14H19N3S — CID 115762792

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline
SMILESCCSc1ccccc1NCc1ccnn1CC
InChIInChI=1S/C14H19N3S/c1-3-17-12(9-10-16-17)11-15-13-7-5-6-8-14(13)18-4-2/h5-10,15H,3-4,11H2,1-2H3
InChIKeyKMHSRWARNHZSNK-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.63
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline

N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline (PubChem CID 115762792) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline
PubChem CID115762792
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline
SMILESCCSc1ccccc1NCc1ccnn1CC
InChIInChI=1S/C14H19N3S/c1-3-17-12(9-10-16-17)11-15-13-7-5-6-8-14(13)18-4-2/h5-10,15H,3-4,11H2,1-2H3
InChIKeyKMHSRWARNHZSNK-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline (CID 115762792) is N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline is CCSc1ccccc1NCc1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline?
The InChIKey is KMHSRWARNHZSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-17-12(9-10-16-17)11-15-13-7-5-6-8-14(13)18-4-2/h5-10,15H,3-4,11H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline?
N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline has a molecular weight of 261.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline is sourced from PubChem (CID 115762792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).