N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C13H18N4O2S — CID 62061884

IUPACN-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C13H18N4O2S/c1-9-13(10(2)17(3)15-9)20(18,19)16-12-6-4-11(8-14)5-7-12/h4-7,16H,8,14H2,1-3H3
InChIKeyBQPDWVIFOYARNI-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.30
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 62061884) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID62061884
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C13H18N4O2S/c1-9-13(10(2)17(3)15-9)20(18,19)16-12-6-4-11(8-14)5-7-12/h4-7,16H,8,14H2,1-3H3
InChIKeyBQPDWVIFOYARNI-UHFFFAOYSA-N
XLogP1.30
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 62061884) is N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is BQPDWVIFOYARNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-13(10(2)17(3)15-9)20(18,19)16-12-6-4-11(8-14)5-7-12/h4-7,16H,8,14H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 62061884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).