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

C10H15N5O2S — CID 82872630

IUPAC3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C10H15N5O2S/c1-7-10(8(2)13-12-7)18(16,17)11-6-9-4-5-15(3)14-9/h4-5,11H,6H2,1-3H3,(H,12,13)
InChIKeySXPNVPBFKHUNOD-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.24
Rot. Bonds4

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

3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 82872630) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID82872630
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C10H15N5O2S/c1-7-10(8(2)13-12-7)18(16,17)11-6-9-4-5-15(3)14-9/h4-5,11H,6H2,1-3H3,(H,12,13)
InChIKeySXPNVPBFKHUNOD-UHFFFAOYSA-N
XLogP0.24
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 82872630) is 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccn(C)n1.
What is the InChIKey of 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is SXPNVPBFKHUNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-7-10(8(2)13-12-7)18(16,17)11-6-9-4-5-15(3)14-9/h4-5,11H,6H2,1-3H3,(H,12,13).
What are the key properties of 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 82872630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).