[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine

C9H15ClN4O2S — CID 114172496

IUPAC[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCCC1CN
InChIInChI=1S/C9H15ClN4O2S/c1-13-9(8(10)6-12-13)17(15,16)14-4-2-3-7(14)5-11/h6-7H,2-5,11H2,1H3
InChIKeyJXPRFPXEQCJGDS-UHFFFAOYSA-N
MW278.76 g/mol
LogP0.19
Rot. Bonds3

About [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine

[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 114172496) has the molecular formula C9H15ClN4O2S and a molecular weight of 278.76 g/mol. Its IUPAC name is [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID114172496
Molecular FormulaC9H15ClN4O2S
Molecular Weight278.76 g/mol
Exact Mass278.06
IUPAC Name[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCCC1CN
InChIInChI=1S/C9H15ClN4O2S/c1-13-9(8(10)6-12-13)17(15,16)14-4-2-3-7(14)5-11/h6-7H,2-5,11H2,1H3
InChIKeyJXPRFPXEQCJGDS-UHFFFAOYSA-N
XLogP0.19
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(bromomethyl)pyrrolidin-1-yl]sulfonyl-4-chloro-1-methylpyrazole
CID 106315994
[1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 120711614
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
3-bromo-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
CID 106316012
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol
CID 114150451
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124573759
3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
CID 106315908
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine
CID 155950524
ethyl (3R)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine-3-carboxylate
CID 106150775
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione
CID 119988962
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine (CID 114172496) is [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine is Cn1ncc(Cl)c1S(=O)(=O)N1CCCC1CN.
What is the InChIKey of [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is JXPRFPXEQCJGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2S/c1-13-9(8(10)6-12-13)17(15,16)14-4-2-3-7(14)5-11/h6-7H,2-5,11H2,1H3.
What are the key properties of [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine?
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 278.76 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 114172496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).