1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine

C9H16N4O2S — CID 105357874

IUPAC1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCC2)c(N)nn1C
InChIInChI=1S/C9H16N4O2S/c1-7-8(9(10)11-12(7)2)16(14,15)13-5-3-4-6-13/h3-6H2,1-2H3,(H2,10,11)
InChIKeyKPNXEAIIQNORSH-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.10
Rot. Bonds2

About 1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine

1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine (PubChem CID 105357874) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine
PubChem CID105357874
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCC2)c(N)nn1C
InChIInChI=1S/C9H16N4O2S/c1-7-8(9(10)11-12(7)2)16(14,15)13-5-3-4-6-13/h3-6H2,1-2H3,(H2,10,11)
InChIKeyKPNXEAIIQNORSH-UHFFFAOYSA-N
XLogP0.10
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-Dimethyl-1H-pyrazol-3-yl)-1-ethyl-5-fluoro-3-methyl-1H-pyrazole-4-sulfonamide
CID 91969597
3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358452
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358515
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
3-amino-N-(2-hydroxyethyl)-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358606
1,5-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105358655
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-N-cyclopropyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358767
3-amino-1,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105358902
3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105359038

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine (CID 105357874) is 1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine is Cc1c(S(=O)(=O)N2CCCC2)c(N)nn1C.
What is the InChIKey of 1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine?
The InChIKey is KPNXEAIIQNORSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-7-8(9(10)11-12(7)2)16(14,15)13-5-3-4-6-13/h3-6H2,1-2H3,(H2,10,11).
What are the key properties of 1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine?
1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine has a molecular weight of 244.32 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-3-amine is sourced from PubChem (CID 105357874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).