1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide

C14H20N4O2S — CID 115989498

IUPAC1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H20N4O2S/c1-11-14(9-18(2)17-11)8-16-21(19,20)10-13-5-3-12(7-15)4-6-13/h3-6,9,16H,7-8,10,15H2,1-2H3
InChIKeyCJMCRKCKUASAPL-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.81
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide (PubChem CID 115989498) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide
PubChem CID115989498
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H20N4O2S/c1-11-14(9-18(2)17-11)8-16-21(19,20)10-13-5-3-12(7-15)4-6-13/h3-6,9,16H,7-8,10,15H2,1-2H3
InChIKeyCJMCRKCKUASAPL-UHFFFAOYSA-N
XLogP0.81
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide
CID 106076915
1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60807993
1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide
CID 63293761
5-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 106076963
4-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115990135
4-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22209366
[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine
CID 19627282
3-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115989030
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 19575260
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383282
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylbenzenesulfonamide
CID 115989044
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide (CID 115989498) is 1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide is Cc1nn(C)cc1CNS(=O)(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide?
The InChIKey is CJMCRKCKUASAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-14(9-18(2)17-11)8-16-21(19,20)10-13-5-3-12(7-15)4-6-13/h3-6,9,16H,7-8,10,15H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 115989498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).