[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride

C10H19ClN4O2S — CID 119998506

IUPAC[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC1CN.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-7-10(8(2)13-12-7)17(15,16)14-5-3-4-9(14)6-11;/h9H,3-6,11H2,1-2H3,(H,12,13);1H
InChIKeyABBZYSXTWDHWBQ-UHFFFAOYSA-N
MW294.81 g/mol
LogP0.56
Rot. Bonds3

About [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride

[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119998506) has the molecular formula C10H19ClN4O2S and a molecular weight of 294.81 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119998506
Molecular FormulaC10H19ClN4O2S
Molecular Weight294.81 g/mol
Exact Mass294.09
IUPAC Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC1CN.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-7-10(8(2)13-12-7)17(15,16)14-5-3-4-9(14)6-11;/h9H,3-6,11H2,1-2H3,(H,12,13);1H
InChIKeyABBZYSXTWDHWBQ-UHFFFAOYSA-N
XLogP0.56
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine
CID 63765626
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine
CID 103441557
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-one
CID 79541168
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride
CID 119998465
4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine
CID 60979617
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 60960077
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969248
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680713
(2R,3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105053
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 79539460
[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]methanamine
CID 116640169
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride (CID 119998506) is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC1CN.Cl.
What is the InChIKey of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is ABBZYSXTWDHWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S.ClH/c1-7-10(8(2)13-12-7)17(15,16)14-5-3-4-9(14)6-11;/h9H,3-6,11H2,1-2H3,(H,12,13);1H.
What are the key properties of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride?
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119998506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).