N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

C13H13N5O2S — CID 60933913

IUPACN-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1cn[nH]c1
InChIInChI=1S/C13H13N5O2S/c19-21(20,13-7-14-15-8-13)17-12-6-16-18(10-12)9-11-4-2-1-3-5-11/h1-8,10,17H,9H2,(H,14,15)
InChIKeyLCXMFEKKYOVMAT-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.46
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 60933913) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID60933913
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC NameN-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1cn[nH]c1
InChIInChI=1S/C13H13N5O2S/c19-21(20,13-7-14-15-8-13)17-12-6-16-18(10-12)9-11-4-2-1-3-5-11/h1-8,10,17H,9H2,(H,14,15)
InChIKeyLCXMFEKKYOVMAT-UHFFFAOYSA-N
XLogP1.46
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide
CID 83092889
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274374
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 17022795
methyl 5-[(1-benzylpyrazol-4-yl)sulfamoyl]-2-bromobenzoate
CID 60549403
3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 113226024
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22203135
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide
CID 113227843
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 22204249

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (CID 60933913) is N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1cn[nH]c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LCXMFEKKYOVMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c19-21(20,13-7-14-15-8-13)17-12-6-16-18(10-12)9-11-4-2-1-3-5-11/h1-8,10,17H,9H2,(H,14,15).
What are the key properties of N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 303.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60933913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).