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

C12H22N4O2S — CID 63174779

IUPACN,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cn[nH]c2C)C1
InChIInChI=1S/C12H22N4O2S/c1-4-15(5-2)11-6-7-16(9-11)19(17,18)12-8-13-14-10(12)3/h8,11H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyACJJPBQDZCHSTN-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.82
Rot. Bonds5

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

N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine (PubChem CID 63174779) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
PubChem CID63174779
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cn[nH]c2C)C1
InChIInChI=1S/C12H22N4O2S/c1-4-15(5-2)11-6-7-16(9-11)19(17,18)12-8-13-14-10(12)3/h8,11H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyACJJPBQDZCHSTN-UHFFFAOYSA-N
XLogP0.82
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1H-pyrazole
CID 63400848
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
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
CID 62916778
1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 63616216
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine
CID 63168177
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine
CID 63174913
1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168088
5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63175019
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 104975074
3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63174974
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine (CID 63174779) is N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2cn[nH]c2C)C1.
What is the InChIKey of N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
The InChIKey is ACJJPBQDZCHSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-15(5-2)11-6-7-16(9-11)19(17,18)12-8-13-14-10(12)3/h8,11H,4-7,9H2,1-3H3,(H,13,14).
What are the key properties of N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine has a molecular weight of 286.40 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine is sourced from PubChem (CID 63174779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).