1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide

C10H13N5O2S — CID 19683579

IUPAC1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ncccn2)c(C)n1
InChIInChI=1S/C10H13N5O2S/c1-3-15-7-9(8(2)13-15)18(16,17)14-10-11-5-4-6-12-10/h4-7H,3H2,1-2H3,(H,11,12,14)
InChIKeyLKQPVSMDZJGDQM-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.80
Rot. Bonds4

About 1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide

1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide (PubChem CID 19683579) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
PubChem CID19683579
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ncccn2)c(C)n1
InChIInChI=1S/C10H13N5O2S/c1-3-15-7-9(8(2)13-15)18(16,17)14-10-11-5-4-6-12-10/h4-7H,3H2,1-2H3,(H,11,12,14)
InChIKeyLKQPVSMDZJGDQM-UHFFFAOYSA-N
XLogP0.80
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide (CID 19683579) is 1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ncccn2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The InChIKey is LKQPVSMDZJGDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-3-15-7-9(8(2)13-15)18(16,17)14-10-11-5-4-6-12-10/h4-7H,3H2,1-2H3,(H,11,12,14).
What are the key properties of 1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 19683579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).