3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide

C14H15N5O2S — CID 39837097

IUPAC3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H15N5O2S/c1-10-14(11(2)17-16-10)22(20,21)18-12-4-6-13(7-5-12)19-9-3-8-15-19/h3-9,18H,1-2H3,(H,16,17)
InChIKeyYQVYZSDOYUBTHB-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.01
Rot. Bonds4

About 3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 39837097) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID39837097
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H15N5O2S/c1-10-14(11(2)17-16-10)22(20,21)18-12-4-6-13(7-5-12)19-9-3-8-15-19/h3-9,18H,1-2H3,(H,16,17)
InChIKeyYQVYZSDOYUBTHB-UHFFFAOYSA-N
XLogP2.01
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190
3,5-dimethyl-N-[4-(3-methylbutylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985171
3,5-dimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1H-pyrazole-4-sulfonamide
CID 122317317
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-[4-(2-aminoethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754608
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-[4-(1H-imidazol-2-yl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110726587
2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide
CID 39837092
N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide
CID 62999857
3,5-dimethyl-N-[4-(3-methylpiperidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985603

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide (CID 39837097) is 3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YQVYZSDOYUBTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-10-14(11(2)17-16-10)22(20,21)18-12-4-6-13(7-5-12)19-9-3-8-15-19/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of 3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 39837097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).