4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine

C9H16N4O2S — CID 103576385

IUPAC4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
SMILESCc1[nH]ncc1S(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C9H16N4O2S/c1-6-4-13(5-8(6)10)16(14,15)9-3-11-12-7(9)2/h3,6,8H,4-5,10H2,1-2H3,(H,11,12)
InChIKeyDGZPBPMCMFBTMI-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.31
Rot. Bonds2

About 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine

4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine (PubChem CID 103576385) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
PubChem CID103576385
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
SMILESCc1[nH]ncc1S(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C9H16N4O2S/c1-6-4-13(5-8(6)10)16(14,15)9-3-11-12-7(9)2/h3,6,8H,4-5,10H2,1-2H3,(H,11,12)
InChIKeyDGZPBPMCMFBTMI-UHFFFAOYSA-N
XLogP-0.31
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid
CID 63721561
(3aR,7aS)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 61142846
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 62068447
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride
CID 119999942
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 104975074
2-[(2S,6R)-2,6-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanol
CID 146130516
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
CID 62916778
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1H-pyrazole
CID 63400848
1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 63616216
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine
CID 60910836
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 102784368

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine (CID 103576385) is 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine is Cc1[nH]ncc1S(=O)(=O)N1CC(C)C(N)C1.
What is the InChIKey of 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
The InChIKey is DGZPBPMCMFBTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-6-4-13(5-8(6)10)16(14,15)9-3-11-12-7(9)2/h3,6,8H,4-5,10H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine has a molecular weight of 244.32 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine is sourced from PubChem (CID 103576385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).