2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline

C14H19N3S — CID 114555084

IUPAC2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccccc1SC
InChIInChI=1S/C14H19N3S/c1-3-10-17-12(8-9-16-17)11-15-13-6-4-5-7-14(13)18-2/h4-9,15H,3,10-11H2,1-2H3
InChIKeyJMNQMBLFANAVEN-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.63
Rot. Bonds6

About 2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline

2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline (PubChem CID 114555084) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
PubChem CID114555084
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccccc1SC
InChIInChI=1S/C14H19N3S/c1-3-10-17-12(8-9-16-17)11-15-13-6-4-5-7-14(13)18-2/h4-9,15H,3,10-11H2,1-2H3
InChIKeyJMNQMBLFANAVEN-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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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline
CID 115762792
2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555445
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline
CID 114555172
2-methylsulfanyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]aniline
CID 107644779
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 114555092
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166967
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 114555031
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
4-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114556165
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline (CID 114555084) is 2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline is CCCn1nccc1CNc1ccccc1SC.
What is the InChIKey of 2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is JMNQMBLFANAVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-10-17-12(8-9-16-17)11-15-13-6-4-5-7-14(13)18-2/h4-9,15H,3,10-11H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline?
2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline 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 2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 114555084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).