3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide

C9H11N5O2S — CID 113462575

IUPAC3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C9H11N5O2S/c1-6-9(7(2)13-12-6)17(15,16)14-8-3-10-5-11-4-8/h3-5,14H,1-2H3,(H,12,13)
InChIKeyVYWWAKMQRGSCCY-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.62
Rot. Bonds3

About 3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide (PubChem CID 113462575) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
PubChem CID113462575
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C9H11N5O2S/c1-6-9(7(2)13-12-6)17(15,16)14-8-3-10-5-11-4-8/h3-5,14H,1-2H3,(H,12,13)
InChIKeyVYWWAKMQRGSCCY-UHFFFAOYSA-N
XLogP0.62
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 106088574
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79049840
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 62904467
N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190
3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide
CID 122299890
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-[4-(2-aminoethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754608
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide (CID 113462575) is 3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is VYWWAKMQRGSCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-6-9(7(2)13-12-6)17(15,16)14-8-3-10-5-11-4-8/h3-5,14H,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 253.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113462575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).