3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide

C10H15N5O2S — CID 110731916

IUPAC3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1ccn[nH]1
InChIInChI=1S/C10H15N5O2S/c1-7-10(8(2)14-13-7)18(16,17)12-6-4-9-3-5-11-15-9/h3,5,12H,4,6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyDANFVSDWHAHJOT-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.27
Rot. Bonds5

About 3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110731916) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID110731916
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1ccn[nH]1
InChIInChI=1S/C10H15N5O2S/c1-7-10(8(2)14-13-7)18(16,17)12-6-4-9-3-5-11-15-9/h3,5,12H,4,6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyDANFVSDWHAHJOT-UHFFFAOYSA-N
XLogP0.27
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 110731916) is 3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCc1ccn[nH]1.
What is the InChIKey of 3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is DANFVSDWHAHJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-7-10(8(2)14-13-7)18(16,17)12-6-4-9-3-5-11-15-9/h3,5,12H,4,6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110731916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).