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

C9H11N5O2S — CID 6464558

IUPAC1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ncccn2)cn1
InChIInChI=1S/C9H11N5O2S/c1-2-14-7-8(6-12-14)17(15,16)13-9-10-4-3-5-11-9/h3-7H,2H2,1H3,(H,10,11,13)
InChIKeyUPFTWQAEYAWTLV-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.49
Rot. Bonds4

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

1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide (PubChem CID 6464558) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
PubChem CID6464558
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ncccn2)cn1
InChIInChI=1S/C9H11N5O2S/c1-2-14-7-8(6-12-14)17(15,16)13-9-10-4-3-5-11-9/h3-7H,2H2,1H3,(H,10,11,13)
InChIKeyUPFTWQAEYAWTLV-UHFFFAOYSA-N
XLogP0.49
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide (CID 6464558) is 1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ncccn2)cn1.
What is the InChIKey of 1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The InChIKey is UPFTWQAEYAWTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-2-14-7-8(6-12-14)17(15,16)13-9-10-4-3-5-11-9/h3-7H,2H2,1H3,(H,10,11,13).
What are the key properties of 1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide has a molecular weight of 253.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 6464558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).