N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide

C13H18N4O2S — CID 138005848

IUPACN,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)cnn1C
InChIInChI=1S/C13H18N4O2S/c1-10(12-6-5-7-14-8-12)17(4)20(18,19)13-9-15-16(3)11(13)2/h5-10H,1-4H3/t10-/m0/s1
InChIKeyVWGKXCDZYLUFGI-JTQLQIEISA-N
MW294.38 g/mol
LogP1.51
Rot. Bonds4

About N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide

N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide (PubChem CID 138005848) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide
PubChem CID138005848
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)cnn1C
InChIInChI=1S/C13H18N4O2S/c1-10(12-6-5-7-14-8-12)17(4)20(18,19)13-9-15-16(3)11(13)2/h5-10H,1-4H3/t10-/m0/s1
InChIKeyVWGKXCDZYLUFGI-JTQLQIEISA-N
XLogP1.51
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide?
The IUPAC name of N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide (CID 138005848) is N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)cnn1C.
What is the InChIKey of N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide?
The InChIKey is VWGKXCDZYLUFGI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10(12-6-5-7-14-8-12)17(4)20(18,19)13-9-15-16(3)11(13)2/h5-10H,1-4H3/t10-/m0/s1.
What are the key properties of N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide?
N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 138005848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).