1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine

C13H24N4O2S — CID 83224009

IUPAC1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
SMILESCCC1CCC(C)N1S(=O)(=O)c1c(CNC)n[nH]c1C
InChIInChI=1S/C13H24N4O2S/c1-5-11-7-6-9(2)17(11)20(18,19)13-10(3)15-16-12(13)8-14-4/h9,11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyMXNFHQPGPKDFQQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.39
Rot. Bonds5

About 1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine

1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine (PubChem CID 83224009) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
PubChem CID83224009
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
SMILESCCC1CCC(C)N1S(=O)(=O)c1c(CNC)n[nH]c1C
InChIInChI=1S/C13H24N4O2S/c1-5-11-7-6-9(2)17(11)20(18,19)13-10(3)15-16-12(13)8-14-4/h9,11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyMXNFHQPGPKDFQQ-UHFFFAOYSA-N
XLogP1.39
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine (CID 83224009) is 1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine is CCC1CCC(C)N1S(=O)(=O)c1c(CNC)n[nH]c1C.
What is the InChIKey of 1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is MXNFHQPGPKDFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-11-7-6-9(2)17(11)20(18,19)13-10(3)15-16-12(13)8-14-4/h9,11,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine?
1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 300.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83224009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).