[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine

C10H11ClN4O2S — CID 165472906

IUPAC[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCS(=O)(=O)c1cnn(-c2nccc(CN)c2Cl)c1
InChIInChI=1S/C10H11ClN4O2S/c1-18(16,17)8-5-14-15(6-8)10-9(11)7(4-12)2-3-13-10/h2-3,5-6H,4,12H2,1H3
InChIKeyKNGFLTNIGOHUPV-UHFFFAOYSA-N
MW286.74 g/mol
LogP0.78
Rot. Bonds3

About [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine

[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine (PubChem CID 165472906) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine
PubChem CID165472906
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCS(=O)(=O)c1cnn(-c2nccc(CN)c2Cl)c1
InChIInChI=1S/C10H11ClN4O2S/c1-18(16,17)8-5-14-15(6-8)10-9(11)7(4-12)2-3-13-10/h2-3,5-6H,4,12H2,1H3
InChIKeyKNGFLTNIGOHUPV-UHFFFAOYSA-N
XLogP0.78
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 165472913
[2-chloro-3-[(4-methylsulfonylpyrazol-1-yl)methyl]phenyl]methanamine
CID 165479602
[3-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 165480871
(1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 165477558
[6-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 165472914
[3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 107055878
3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 165472351
2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine
CID 165480513
[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol
CID 165479622
[2-(4-methylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 60871926
1-[[3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methyl]-3-propan-2-ylpyridin-4-one
CID 166310919
N'-hydroxy-4-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
CID 165481074

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine (CID 165472906) is [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine is CS(=O)(=O)c1cnn(-c2nccc(CN)c2Cl)c1.
What is the InChIKey of [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine?
The InChIKey is KNGFLTNIGOHUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-18(16,17)8-5-14-15(6-8)10-9(11)7(4-12)2-3-13-10/h2-3,5-6H,4,12H2,1H3.
What are the key properties of [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine?
[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine has a molecular weight of 286.74 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 165472906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).