1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide

C11H17N5O2S — CID 22209348

IUPAC1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1cnn(C)c1
InChIInChI=1S/C11H17N5O2S/c1-8-11(9(2)16(4)14-8)19(17,18)13-6-10-5-12-15(3)7-10/h5,7,13H,6H2,1-4H3
InChIKeyPCVZAAVWIKPKGU-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.25
Rot. Bonds4

About 1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 22209348) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID22209348
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1cnn(C)c1
InChIInChI=1S/C11H17N5O2S/c1-8-11(9(2)16(4)14-8)19(17,18)13-6-10-5-12-15(3)7-10/h5,7,13H,6H2,1-4H3
InChIKeyPCVZAAVWIKPKGU-UHFFFAOYSA-N
XLogP0.25
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154837399
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22771313
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 79523965
2-amino-3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103171325
2-chloro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61351400
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115319875
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154764538
N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 126851040
N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5156843
3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106018303
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71808656

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide (CID 22209348) is 1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1cnn(C)c1.
What is the InChIKey of 1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is PCVZAAVWIKPKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-8-11(9(2)16(4)14-8)19(17,18)13-6-10-5-12-15(3)7-10/h5,7,13H,6H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22209348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).