3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide

C12H17N5O2S — CID 60895719

IUPAC3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2cccnc2)c(N)n1
InChIInChI=1S/C12H17N5O2S/c1-2-17-9-11(12(13)16-17)20(18,19)15-7-5-10-4-3-6-14-8-10/h3-4,6,8-9,15H,2,5,7H2,1H3,(H2,13,16)
InChIKeyFEXRUVLWUDTLMN-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.40
Rot. Bonds6

About 3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide (PubChem CID 60895719) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide
PubChem CID60895719
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2cccnc2)c(N)n1
InChIInChI=1S/C12H17N5O2S/c1-2-17-9-11(12(13)16-17)20(18,19)15-7-5-10-4-3-6-14-8-10/h3-4,6,8-9,15H,2,5,7H2,1H3,(H2,13,16)
InChIKeyFEXRUVLWUDTLMN-UHFFFAOYSA-N
XLogP0.40
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809119
3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809082
3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
CID 60814017
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide (CID 60895719) is 3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2cccnc2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is FEXRUVLWUDTLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-2-17-9-11(12(13)16-17)20(18,19)15-7-5-10-4-3-6-14-8-10/h3-4,6,8-9,15H,2,5,7H2,1H3,(H2,13,16).
What are the key properties of 3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60895719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).