N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline

C19H21N3OS — CID 97236747

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline
SMILESC[S@@](=O)Cc1cccc(NCc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C19H21N3OS/c1-24(23)15-17-8-5-9-19(10-17)20-11-18-12-21-22(14-18)13-16-6-3-2-4-7-16/h2-10,12,14,20H,11,13,15H2,1H3/t24-/m1/s1
InChIKeyMCQDZUDSQVQLFZ-XMMPIXPASA-N
MW339.46 g/mol
LogP3.42
Rot. Bonds7

About N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline

N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline (PubChem CID 97236747) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline
PubChem CID97236747
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline
SMILESC[S@@](=O)Cc1cccc(NCc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C19H21N3OS/c1-24(23)15-17-8-5-9-19(10-17)20-11-18-12-21-22(14-18)13-16-6-3-2-4-7-16/h2-10,12,14,20H,11,13,15H2,1H3/t24-/m1/s1
InChIKeyMCQDZUDSQVQLFZ-XMMPIXPASA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloroaniline
CID 43503102
N-[(1-benzylpyrazol-4-yl)methyl]-4-iodoaniline
CID 43503117
N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 78879011
N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine
CID 133374077
N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 103720547
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
3-chloro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818064
N-[(2-methylquinolin-6-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline
CID 124621316
N-[(2-methylquinolin-6-yl)methyl]-3-(methylsulfinylmethyl)aniline
CID 122150026

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline (CID 97236747) is N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline is C[S@@](=O)Cc1cccc(NCc2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline?
The InChIKey is MCQDZUDSQVQLFZ-XMMPIXPASA-N. The full InChI is InChI=1S/C19H21N3OS/c1-24(23)15-17-8-5-9-19(10-17)20-11-18-12-21-22(14-18)13-16-6-3-2-4-7-16/h2-10,12,14,20H,11,13,15H2,1H3/t24-/m1/s1.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline?
N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline has a molecular weight of 339.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline is sourced from PubChem (CID 97236747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).