4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine

C13H24N4O2S — CID 105359252

IUPAC4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCC(C(C)(C)C)C2)c(N)nn1C
InChIInChI=1S/C13H24N4O2S/c1-9-11(12(14)15-16(9)5)20(18,19)17-7-6-10(8-17)13(2,3)4/h10H,6-8H2,1-5H3,(H2,14,15)
InChIKeyMPIOCHNCGMRLDW-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.37
Rot. Bonds2

About 4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine

4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (PubChem CID 105359252) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
PubChem CID105359252
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCC(C(C)(C)C)C2)c(N)nn1C
InChIInChI=1S/C13H24N4O2S/c1-9-11(12(14)15-16(9)5)20(18,19)17-7-6-10(8-17)13(2,3)4/h10H,6-8H2,1-5H3,(H2,14,15)
InChIKeyMPIOCHNCGMRLDW-UHFFFAOYSA-N
XLogP1.37
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 105359381
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 113282433
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine
CID 105359185
1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine
CID 105357945
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 66291193
4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 105358968
3-tert-butyl-1-(2-methylphenyl)sulfonylpyrrolidine
CID 113415005
3-(3-tert-butylpyrrolidin-1-yl)sulfonyl-5-chloro-2-methylaniline
CID 114380136
[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
CID 105358382
N-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977934
2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The IUPAC name of 4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (CID 105359252) is 4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for 4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is Cc1c(S(=O)(=O)N2CCC(C(C)(C)C)C2)c(N)nn1C.
What is the InChIKey of 4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The InChIKey is MPIOCHNCGMRLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-9-11(12(14)15-16(9)5)20(18,19)17-7-6-10(8-17)13(2,3)4/h10H,6-8H2,1-5H3,(H2,14,15).
What are the key properties of 4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine has a molecular weight of 300.43 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 105359252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).