1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide

C10H12N4O2S — CID 6466340

IUPAC1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccnc2)cn1
InChIInChI=1S/C10H12N4O2S/c1-2-14-8-10(7-12-14)17(15,16)13-9-4-3-5-11-6-9/h3-8,13H,2H2,1H3
InChIKeyBIBMKVQBWQRNSS-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.10
Rot. Bonds4

About 1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide

1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide (PubChem CID 6466340) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
PubChem CID6466340
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccnc2)cn1
InChIInChI=1S/C10H12N4O2S/c1-2-14-8-10(7-12-14)17(15,16)13-9-4-3-5-11-6-9/h3-8,13H,2H2,1H3
InChIKeyBIBMKVQBWQRNSS-UHFFFAOYSA-N
XLogP1.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide (CID 6466340) is 1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cccnc2)cn1.
What is the InChIKey of 1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
The InChIKey is BIBMKVQBWQRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-2-14-8-10(7-12-14)17(15,16)13-9-4-3-5-11-6-9/h3-8,13H,2H2,1H3.
What are the key properties of 1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide?
1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-pyridin-3-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 6466340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).