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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Related Compounds

1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 6467341
Pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
CID 71669036
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-ethyl-1H-pyrazole-4-sulfonamide
CID 91923155
N-(2-((6-(1H-pyrazol-1-yl)pyrimidin-4-yl)amino)ethyl)butane-1-sulfonamide
CID 30868172
4-(4-(butylsulfonyl)piperazin-1-yl)-6-(1H-pyrazol-1-yl)pyrimidine
CID 45502428
2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 164632838
1-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]pyrazole-4-sulfonamide
CID 164633024
N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide
CID 163246911
7-Amino-6-(methylsulfonyl)pyrazolo[1,5-a]-pyrimidine
CID 129768517
3-Sulfonylpyrazol-4-amino pyrimidine
CID 172432275
1-(2,2-difluoroethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazole-4-sulfonamide
CID 99823066
1-(2,2-difluoroethyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazole-4-sulfonamide
CID 99823067

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).