5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline

C10H10ClN3S — CID 61384655

IUPAC5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline
SMILESCn1cc(Sc2ccc(Cl)cc2N)cn1
InChIInChI=1S/C10H10ClN3S/c1-14-6-8(5-13-14)15-10-3-2-7(11)4-9(10)12/h2-6H,12H2,1H3
InChIKeyWAVIRFXKRXSRRZ-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.81
Rot. Bonds2

About 5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline

5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline (PubChem CID 61384655) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline.

Molecular Properties

Compound Name5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline
PubChem CID61384655
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline
SMILESCn1cc(Sc2ccc(Cl)cc2N)cn1
InChIInChI=1S/C10H10ClN3S/c1-14-6-8(5-13-14)15-10-3-2-7(11)4-9(10)12/h2-6H,12H2,1H3
InChIKeyWAVIRFXKRXSRRZ-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(1-methylpyrazol-4-yl)sulfanylbenzonitrile
CID 62492587
1-[4-chloro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]butan-2-amine
CID 114866413
(1S)-1-[3-chloro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 78938909
4-bromo-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 65342219
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 63600024
(1S)-1-[3-fluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 78938882
6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine
CID 80892034
5-chloro-2-(3-chlorophenyl)sulfanylaniline
CID 3026812
4-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384658
[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 107931460
5-chloro-2-(4-ethylphenyl)sulfanylaniline
CID 91877108
[5-bromo-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 114893842

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline?
The IUPAC name of 5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline (CID 61384655) is 5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline.
What is the SMILES notation for 5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline?
The canonical SMILES for 5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline is Cn1cc(Sc2ccc(Cl)cc2N)cn1.
What is the InChIKey of 5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline?
The InChIKey is WAVIRFXKRXSRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-14-6-8(5-13-14)15-10-3-2-7(11)4-9(10)12/h2-6H,12H2,1H3.
What are the key properties of 5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline?
5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline has a molecular weight of 239.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline is sourced from PubChem (CID 61384655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).